1-Propanesulfonamide, N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-

HCID 11984556

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 918504-27-5
표준 SMILES: CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F
InChIKey: TVFGCDQPUZGXMQ-UHFFFAOYSA-N
분자식: C17H14BrF2N3O3S
평균 분자량: 458.3 g/mol
단동위원소 질량: 456.99073085

이름 및 식별자

우선 이름: 1-Propanesulfonamide, N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
IUPAC: N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide
영어명: 1-PropanesulfonaMide, N-[3-[(5-broMo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-
분자식: C17H14BrF2N3O3S
분자량: 458.28

이름 및 동의어

1-Propanesulfonamide, N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-Propanesulfonamide, N-(3-((5-bromo-1H-pyrrolo(2,3-b)pyridin-3-yl)carbonyl)-2,4-difluorophenyl)-RefChem:436123806-749-7918504-27-5N-(3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl)propane-1-sulfonamideB-Raf IN 11N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamideMFCD18207768ZINC72115182N-(3-(5-Bromo-1H-pyrrolo[23-b]pyridine-3-carbonyl)-24-difluorophenyl)propane-1-sulfonamidePropane-1-sulfonic acid [3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]amide

이름 더 보기

B-Raf IN 11, 10 mM in DMSOZINC-72115182,ZINC72115182N-[3-(5-Bromo-7-azaindole-3-carbonyl)-2,4-difluorophenyl]-1-propanesulfonamideN-{3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamideN-[3-[(5-Bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl]-1-propanesulfonamidePropane-1-sulfonic acid [3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]amide,

C17H14BrF2N3O3SBCP12307N-(3-{5-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONYL}-2,4-DIFLUOROPHENYL)PROPANE-1-SULFONAMIDEEC 806-749-7SCHEMBL294160orb1306868SCHEMBL29796757DTXSID30475207

데이터베이스 식별자

CAS: 918504-27-5
PubChem CID: 11984556
DTXSID: DTXSID30475207
EC Number: 806-749-7

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 100 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 27
형식 전하: 0
복잡도: 648

물리화학적 성질

밀도: 1.689 · 1.689±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 6.19 · 6.19±0.10(Predicted)
물리적 상태: Solid
색상: Off-white to light yellow

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.