기본 정보
- 표준 SMILES
O=S(=O)(NC(CO)C(C(F)(F)F)C(F)(F)F)c1ccc(Cl)s1- InChIKey
PSXOKXJMVRSARX-UHFFFAOYSA-N- 분자식
- C9H8ClF6NO3S2
- 평균 분자량
- 391.7 g/mol
이름 및 식별자
- 우선 이름
- 5-chloro-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
- IUPAC
- 5-chloro-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
이름 및 동의어
Begacestat (GSI-953)5-chloro-N-[4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide769169-25-7C9H8ClF6NO3S2SCHEMBL2888520PSXOKXJMVRSARX-UHFFFAOYSA-NEBC-12889MFCD18782675EN300-276944505'-chloro-N-[3,3,3-trifluoro-2-(trifluoromethyl)-1-(hydroxymethyl)propyl]thiophene-2'-sulfonamide5-Chloro-N-[(1S)-3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]-2-thiophenesulfonamide5-chloro-N-[3,3,3-trifluoro-1-(hydroxymethyl)-2-(trifluoromethyl)propyl]thiophene-2-sulfonamide
이름 더 보기
GSI 953; one of |A-Secretase inhibitor; (S)-5-chloro-N-(4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl)thiophene-2-sulfonamide
데이터베이스 식별자
- PubChem CID
- 11372756
- Nikkaji
- J2.769.998G
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 463
관련 반응
2건
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