1-[[3-[(4-Chlorophenyl)sulfonylmethyl]-4-nitrobenzoyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
기본 정보
- CAS
339016-41-0- 표준 SMILES
O=C(NNC(=O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)Nc1cccc(C(F)(F)F)c1- InChIKey
BZBLSOCNBKYXOL-UHFFFAOYSA-N- 분자식
- C22H16ClF3N4O6S
- 평균 분자량
- 556.9 g/mol
- 단동위원소 질량
- 556.0431176
이름 및 식별자
- 우선 이름
- 1-[[3-[(4-Chlorophenyl)sulfonylmethyl]-4-nitrobenzoyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-[[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
- 영어명
- 2-(3-([(4-CHLOROPHENYL)SULFONYL]METHYL)-4-NITROBENZOYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]-1-HYDRAZINECARBOXAMIDE
- 분자식
- C22H16ClF3N4O6S
- 분자량
- 556.9
이름 및 동의어
339016-41-03-[(4-chlorobenzenesulfonyl)methyl]-4-nitro-N-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide1-[[3-[(4-chlorophenyl)sulfonylmethyl]-4-nitrobenzoyl]amino]-3-[3-(trifluoromethyl)phenyl]ureaDTXSID101107779AKOS0051011362-(3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrobenzoyl)-N-(3-(trifluoromethyl)phenyl)-1-hydrazinecarboxamide7L-9192-(3-(((4-Chlorophenyl)sulfonyl)methyl)-4-nitrobenzoyl)-N-(3-(trifluoromethyl)phenyl)hydrazine-1-carboxamide3-[[(4-Chlorophenyl)sulfonyl]methyl]-4-nitrobenzoic acid 2-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]hydrazide2-(3-([(4-CHLOROPHENYL)SULFONYL]METHYL)-4-NITROBENZOYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]-1-HYDRAZINECARBOXAMIDEBenzoic acid, 3-[[(4-chlorophenyl)sulfonyl]methyl]-4-nitro-, 2-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]hydrazide
데이터베이스 식별자
- CAS
339016-41-0- PubChem CID
- 3794419
- DTXSID
DTXSID101107779
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 934
물리화학적 성질
- 밀도
- 1.549 · 1.549±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.34 · 9.34±0.43(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…