3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

C12H17FN2O3S — CID 65110927

IUPAC3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2,(H2,14,17,18)
InChIKeySUQFLCVYEVHUKE-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.19
Rot. Bonds4

About 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide

3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (PubChem CID 65110927) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
PubChem CID65110927
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2,(H2,14,17,18)
InChIKeySUQFLCVYEVHUKE-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
CID 68870224
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-(4-hydroxybutylamino)benzenesulfonamide
CID 106842759
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521
4-[(3-ethyl-2-hydroxypentyl)amino]-3-fluorobenzenesulfonamide
CID 106287531
4-(2,3-dimethylbutylamino)-3-fluorobenzenesulfonamide
CID 64599794
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
CID 106214896

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide (CID 65110927) is 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is NS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
The InChIKey is SUQFLCVYEVHUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-10-7-9(19(14,17)18)3-4-11(10)15-8-12(16)5-1-2-6-12/h3-4,7,15-16H,1-2,5-6,8H2,(H2,14,17,18).
What are the key properties of 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide?
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 65110927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).