1H-Pyrrolo[2,3-B]pyridine, 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-
기본 정보
- CAS
1036027-56-1- 표준 SMILES
Cc1ccc(S(=O)(=O)n2ccc3cc(C(F)(F)F)cnc32)cc1- InChIKey
RNKVQAUOKDXQIM-UHFFFAOYSA-N- 분자식
- C15H11F3N2O2S
- 평균 분자량
- 340.3 g/mol
- 단동위원소 질량
- 340.04933326
이름 및 식별자
- 우선 이름
- 1H-Pyrrolo[2,3-B]pyridine, 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-
- IUPAC
- 1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine
- 영어명
- 1H-Pyrrolo[2,3-b]pyridine, 1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-
- 분자식
- C15H11F3N2O2S
- 분자량
- 340.32
이름 및 동의어
1036027-56-11H-PYRROLO[2,3-B]PYRIDINE, 1-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine1-Tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridineSCHEMBL3500069SCHEMBL27774463DTXSID6011458391H-Pyrrolo[2,3-b]pyridine,1-[(4-methylphenyl)sulfonyl]-5-(trifluoromethyl)-5-Trifluoromethyl-1-tosyl-1H-pyrrolo[2,3-b]pyridine5-Trifluoromethyl-1-tosyl-1H-pyrrolo [2,3-b]pyridine1-(p-tolylsulfonyl)-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine1-(4-Methylbenzene-1-sulfonyl)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
이름 더 보기
1-[(4-Methylphenyl)sulfonyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
데이터베이스 식별자
- CAS
1036027-56-1- PubChem CID
- 49759030
- DTXSID
DTXSID601145839
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 60.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 524
물리화학적 성질
- 끓는 점
- 470.6 · 470.6±55.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.34 · -1.34±0.30(Predicted)
관련 반응
7건
화합물 노트
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