1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid
기본 정보
- 표준 SMILES
NS(=O)(=O)c1ccc(-n2nc(C(=O)O)cc2-c2ccc(Cl)cc2)cc1- InChIKey
NHAUQESLCOSREJ-UHFFFAOYSA-N- 분자식
- C16H12ClN3O4S
- 평균 분자량
- 377.8 g/mol
- 단동위원소 질량
- 377.0237047
이름 및 식별자
- 우선 이름
- 1-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid
이름 및 동의어
170571-19-41-[4-(aminosulfonyl)phenyl]-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylic Acid5-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylic acidOprea1_672946MLS000755190SCHEMBL3873219CHEMBL1544476NHAUQESLCOSREJ-UHFFFAOYSA-NHMS2643B24MFCD01316456AKOS005093170
이름 더 보기
4N-582SSMR000338058CS-0037262W126371-(4-aminosulfonylphenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid4-(aminosulfonyl)phenyl-5-(4 chlorophenyl)-1h-pyrazole-3-carboxylic acid4-(Aminosulfonyl)phenyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid5-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)-1H-pyrazole-3-carboxylicacid
데이터베이스 식별자
- PubChem CID
- 1477245
- ChEMBL
CHEMBL1544476
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 581
관련 반응
15건
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