N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide (HCID 58118636)

기본 정보

표준 SMILES: Cc1cc(C(C)N)c(F)cc1NS(C)(=O)=O
InChIKey: MEJLJAWAZIRELM-UHFFFAOYSA-N
분자식: C10H15FN2O2S
평균 분자량: 246.3 g/mol

이름 및 식별자

우선 이름: N-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide
IUPAC: N-[4-(1-aminoethyl)-5-fluoro-2-methylphenyl]methanesulfonamide

이름 및 동의어

SCHEMBL537465MEJLJAWAZIRELM-UHFFFAOYSA-NDB-188655N-[4-(1-aminoethyl)-5-fluoro-2-methylphenyl]methanesulfonamideN-[4-(1-amino-ethyl)-5-fluoro-2-methyl-phenyl]-methanesulfonamide1154743-10-8

데이터베이스 식별자

PubChem CID: 58118636

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 80.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 328

관련 반응

14건

반응 기록 만들기

HRID 106956반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113996반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 202656반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 282346반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 296461반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 314332반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 681296반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 682943반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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