3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

C12H17FN2O3S — CID 106358757

IUPAC3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2CCCC2CO)c1
InChIInChI=1S/C12H17FN2O3S/c13-9-4-10(14)6-11(5-9)19(17,18)15-12-3-1-2-8(12)7-16/h4-6,8,12,15-16H,1-3,7,14H2
InChIKeyCIOOBSBKNDHPFZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.85
Rot. Bonds4

About 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide

3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (PubChem CID 106358757) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
PubChem CID106358757
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2CCCC2CO)c1
InChIInChI=1S/C12H17FN2O3S/c13-9-4-10(14)6-11(5-9)19(17,18)15-12-3-1-2-8(12)7-16/h4-6,8,12,15-16H,1-3,7,14H2
InChIKeyCIOOBSBKNDHPFZ-UHFFFAOYSA-N
XLogP0.85
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358803
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836039
4-ethyl-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103835956
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
4-amino-2-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 106358785
3-amino-5-[[2-(hydroxymethyl)cyclohexyl]amino]benzenesulfonamide
CID 106359193
N-[2-(bromomethyl)cyclopentyl]-3-fluorobenzenesulfonamide
CID 106367483
2-chloro-5-fluoro-N-[2-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 103815165
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-3-fluoro-5-nitrobenzenesulfonamide
CID 99815993

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide (CID 106358757) is 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NC2CCCC2CO)c1.
What is the InChIKey of 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
The InChIKey is CIOOBSBKNDHPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-9-4-10(14)6-11(5-9)19(17,18)15-12-3-1-2-8(12)7-16/h4-6,8,12,15-16H,1-3,7,14H2.
What are the key properties of 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide?
3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide is sourced from PubChem (CID 106358757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).