기본 정보
- 표준 SMILES
O=C(NS(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1- InChIKey
ZUOBXCIPMDWWFZ-UHFFFAOYSA-N- 분자식
- C22H17Cl2N3O3S
- 평균 분자량
- 474.4 g/mol
이름 및 식별자
- 우선 이름
- 3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4-phenyl4,5-dihydro-1H-pyrazole-1-carboxamide
- IUPAC
- 5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
이름 및 동의어
CHEMBL1560273-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamide3-(4-Chlorophenyl)-N-[(4-chlorophenyl)sulfonyl]-4-phenyl-4,5-dihydro-1H-pyrazole-1-carboxamideSCHEMBL738900ZUOBXCIPMDWWFZ-UHFFFAOYSA-NBDBM501389223-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4,5-dihydro-4-phenyl-1H-pyrazole-1-carboxamide3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)-4-phenyl4,5-dihydro-1H-pyrazole-1-carboxamide3-(4-chlorophenyl)-N-((4-chlorophenyl)sulfonyl)4-phenyl4,5-dihydro-1H-pyrazole-1-carboxamide4-Chloro-N-[3-(4-chloro-phenyl)-4-phenyl-4,5-dihydro-pyrazole-1-carbonyl]-benzenesulfonamide
데이터베이스 식별자
- PubChem CID
- 11374894
- ChEMBL
CHEMBL156027
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 87.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 763
관련 반응
5건
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