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

C16H20FN3O3S — CID 110127280

IUPAC2-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)c2ccccc2F)[C@H]1O
InChIInChI=1S/C16H20FN3O3S/c1-11-18-9-10-20(11)14-8-7-13(16(14)21)19(2)24(22,23)15-6-4-3-5-12(15)17/h3-6,9-10,13-14,16,21H,7-8H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyLGXVWPDJHGLGEY-IIAWOOMASA-N
MW353.42 g/mol
LogP1.72
Rot. Bonds4

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

2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide (PubChem CID 110127280) has the molecular formula C16H20FN3O3S and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide
PubChem CID110127280
Molecular FormulaC16H20FN3O3S
Molecular Weight353.42 g/mol
Exact Mass353.12
IUPAC Name2-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)c2ccccc2F)[C@H]1O
InChIInChI=1S/C16H20FN3O3S/c1-11-18-9-10-20(11)14-8-7-13(16(14)21)19(2)24(22,23)15-6-4-3-5-12(15)17/h3-6,9-10,13-14,16,21H,7-8H2,1-2H3/t13-,14-,16-/m1/s1
InChIKeyLGXVWPDJHGLGEY-IIAWOOMASA-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide (CID 110127280) is 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-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)c2ccccc2F)[C@H]1O.
What is the InChIKey of 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
The InChIKey is LGXVWPDJHGLGEY-IIAWOOMASA-N. The full InChI is InChI=1S/C16H20FN3O3S/c1-11-18-9-10-20(11)14-8-7-13(16(14)21)19(2)24(22,23)15-6-4-3-5-12(15)17/h3-6,9-10,13-14,16,21H,7-8H2,1-2H3/t13-,14-,16-/m1/s1.
What are the key properties of 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide?
2-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 2-fluoro-N-[(1R,2S,3R)-2-hydroxy-3-(2-methylimidazol-1-yl)cyclopentyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 110127280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).