3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

C12H17FN2O3S — CID 65103398

IUPAC3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2(O)CCCC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-10-4-3-9(7-11(10)14)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2
InChIKeyCYGDPRJNPGJXES-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.99
Rot. Bonds4

About 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide

3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (PubChem CID 65103398) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
PubChem CID65103398
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
SMILESNc1cc(S(=O)(=O)NCC2(O)CCCC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c13-10-4-3-9(7-11(10)14)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2
InChIKeyCYGDPRJNPGJXES-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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

3-amino-5-fluoro-N-[(1-hydroxycyclopentyl)methyl]-4-methylbenzenesulfonamide
CID 116791950
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
3-amino-4-fluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzenesulfonamide
CID 114755713
4-chloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 6737413
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 107162958
3-amino-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 113498452
3,4-dichloro-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65117612
N-[(1-aminocyclohexyl)methyl]-3,4-difluorobenzenesulfonamide
CID 43598226
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
5-amino-4-bromo-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 116530422
6-amino-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65102882

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide (CID 65103398) is 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is Nc1cc(S(=O)(=O)NCC2(O)CCCC2)ccc1F.
What is the InChIKey of 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
The InChIKey is CYGDPRJNPGJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-4-3-9(7-11(10)14)19(17,18)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8,14H2.
What are the key properties of 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide?
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65103398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).