N-[2-(benzyloxy)-5-(2-bromoacetyl)phenyl]methanesulfonamide

HCID 11200351

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 14347-25-2
표준 SMILES: CS(=O)(=O)Nc1cc(C(=O)CBr)ccc1OCc1ccccc1
InChIKey: MSZJJGHZRBKVHQ-UHFFFAOYSA-N
분자식: C16H16BrNO4S
평균 분자량: 398.3 g/mol
단동위원소 질량: 396.99834109

이름 및 식별자

우선 이름: N-[2-(benzyloxy)-5-(2-bromoacetyl)phenyl]methanesulfonamide
IUPAC: N-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]methanesulfonamide
영어명: 2-Bromo-1-[4-phenylmethoxy-3-[(methylsulfonyl)amino]phenyl]ethanone
분자식: C16H16BrNO4S
분자량: 398.27

이름 및 동의어

N-(2-(benzyloxy)-5-(2-bromoacetyl)phenyl)methanesulfonamideN-[2-(benzyloxy)-5-(2-bromoacetyl)phenyl]methanesulfonamideRefChem:824810867-672-214347-25-2N-(2-benzyloxy-5-bromoacetyl-phenyl)-methanesulfonamiden-[2-(benzyloxy)-5-(bromoacetyl)phenyl]methanesulfonamideN-[5-(2-bromoacetyl)-2-phenylmethoxyphenyl]methanesulfonamide2-bromo-1-[4-phenylmethoxy-3-[(methylsulfonyl)amino]phenyl]ethanoneSCHEMBL1221632DTXSID40458561MSZJJGHZRBKVHQ-UHFFFAOYSA-N

이름 더 보기

Methanesulfonamide, N-[5-(2-bromoacetyl)-2-(phenylmethoxy)phenyl]-

DB-343485EN300-12638376N-[5-(bromoacetyl)-2-(phenylmethoxy)phenyl]methanesulphonamide2-bromo-1-[4-(phenyl-methoxy)-3-[(methylsulfonyl)amino]phenyl]ethanone

데이터베이스 식별자

CAS: 14347-25-2
PubChem CID: 11200351
DTXSID: DTXSID40458561
EC Number: 867-672-2

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 80.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 23
형식 전하: 0
복잡도: 485

물리화학적 성질

끓는 점: 549.5 · 549.5±60.0 °C(Predicted)
밀도: 1.535 · 1.535±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.44 · 7.44±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.