3-(Benzenesulfonylmethyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
기본 정보
- CAS
672925-66-5- 표준 SMILES
O=S(=O)(Cc1noc(C2CCCN2S(=O)(=O)c2ccccc2Cl)n1)c1ccccc1- InChIKey
ZJACBPZKINWLQC-UHFFFAOYSA-N- 분자식
- C19H18ClN3O5S2
- 평균 분자량
- 467.9 g/mol
- 단동위원소 질량
- 467.0376407
이름 및 식별자
- 우선 이름
- 3-(Benzenesulfonylmethyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
- IUPAC
- 3-(benzenesulfonylmethyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
- 영어명
- (5-(1-[(2-Chlorophenyl)sulfonyl]-2-pyrrolidinyl)-1,2,4-oxadiazol-3-yl)methyl phenyl sulfone
- 분자식
- C19H18ClN3O5S2
- 분자량
- 467.95
이름 및 동의어
672925-66-53-[(benzenesulfonyl)methyl]-5-[1-(2-chlorobenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole3-(benzenesulfonylmethyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole5-{1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl}-3-[(phenylsulfonyl)methyl]-1,2,4-oxadiazoleOprea1_695355AKOS0050938615P-664S5-(1-((2-Chlorophenyl)sulfonyl)pyrrolidin-2-yl)-3-((phenylsulfonyl)methyl)-1,2,4-oxadiazole5-(1-[(2-CHLOROPHENYL)SULFONYL]-2-PYRROLIDINYL)-3-[(PHENYLSULFONYL)METHYL]-1,2,4-OXADIAZOLE(5-(1-[(2-Chlorophenyl)sulfonyl]-2-pyrrolidinyl)-1,2,4-oxadiazol-3-yl)methyl phenyl sulfone1,2,4-Oxadiazole, 5-[1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl]-3-[(phenylsulfonyl)methyl]-
데이터베이스 식별자
- CAS
672925-66-5- PubChem CID
- 3763606
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 127 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 792
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