3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C12H15ClFNO3S — CID 103836072

IUPAC3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO3S/c13-9-4-2-6-11(12(9)14)19(17,18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2
InChIKeyDGFGFCSGBIQMFL-UHFFFAOYSA-N
MW307.77 g/mol
LogP1.92
Rot. Bonds4

About 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 103836072) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID103836072
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC Name3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1CO)c1cccc(Cl)c1F
InChIInChI=1S/C12H15ClFNO3S/c13-9-4-2-6-11(12(9)14)19(17,18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2
InChIKeyDGFGFCSGBIQMFL-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
2,3,4-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103858682
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
2-bromo-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 90314044
N-[2-(aminomethyl)cyclopentyl]-2-bromo-3-chlorobenzenesulfonamide;hydrochloride
CID 120711063
N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-2-(trifluoromethyl)benzenesulfonamide
CID 97079898
N-[2-(aminomethyl)cyclopentyl]-2,4-dichloro-3-fluorobenzenesulfonamide;hydrochloride
CID 120711122
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]pyridine-3-sulfonamide
CID 104940851
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
5-amino-2-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358815

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 103836072) is 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is O=S(=O)(NC1CCCC1CO)c1cccc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is DGFGFCSGBIQMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c13-9-4-2-6-11(12(9)14)19(17,18)15-10-5-1-3-8(10)7-16/h2,4,6,8,10,15-16H,1,3,5,7H2.
What are the key properties of 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 307.77 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 103836072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).