3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide

C16H20FN3O3S — CID 110127281

IUPAC3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
SMILESCc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H]1O
InChIInChI=1S/C16H20FN3O3S/c1-11-18-8-9-20(11)15-7-6-14(16(15)21)19(2)24(22,23)13-5-3-4-12(17)10-13/h3-5,8-10,14-16,21H,6-7H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyAQZGNBDORIIXPM-BZUAXINKSA-N
MW353.42 g/mol
LogP1.72
Rot. Bonds4

About 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide

3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide (PubChem CID 110127281) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
PubChem CID110127281
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
SMILESCc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H]1O
InChIInChI=1S/C16H20FN3O3S/c1-11-18-8-9-20(11)15-7-6-14(16(15)21)19(2)24(22,23)13-5-3-4-12(17)10-13/h3-5,8-10,14-16,21H,6-7H2,1-2H3/t14-,15-,16-/m1/s1
InChIKeyAQZGNBDORIIXPM-BZUAXINKSA-N
XLogP1.72
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide with MolForge

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Related Compounds

2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
CID 110127280
3-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635668
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
(1R,2R,5R)-2-amino-5-(2-methylimidazol-1-yl)cyclopentan-1-ol
CID 175662595
N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methyl-4-(2-propan-2-ylbenzimidazol-1-yl)butanamide
CID 110163718
3-fluoro-N-methyl-N-[1-(1H-pyrazole-5-carbonyl)azepan-4-yl]benzenesulfonamide
CID 110248491
(1S)-2-(2-methylimidazol-1-yl)cyclohexan-1-ol
CID 126846257
3-fluoro-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 30934964
3-fluoro-N,N-diphenylbenzenesulfonamide
CID 23881981
1-(3-fluorophenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797893
N-[(4S)-1-(2-amino-4-methylpyrimidine-5-carbonyl)azepan-4-yl]-3-fluoro-N-methylbenzenesulfonamide
CID 92634930
N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 110127246

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide (CID 110127281) is 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide is Cc1nccn1[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2cccc(F)c2)[C@H]1O.
What is the InChIKey of 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The InChIKey is AQZGNBDORIIXPM-BZUAXINKSA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-11-18-8-9-20(11)15-7-6-14(16(15)21)19(2)24(22,23)13-5-3-4-12(17)10-13/h3-5,8-10,14-16,21H,6-7H2,1-2H3/t14-,15-,16-/m1/s1.
What are the key properties of 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110127281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).