4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide

C14H15FN4O2S — CID 171087301

IUPAC4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(C3CCC3)cn2)c(F)c1
InChIInChI=1S/C14H15FN4O2S/c15-12-6-11(22(16,20)21)4-5-13(12)19-14-17-7-10(8-18-14)9-2-1-3-9/h4-9H,1-3H2,(H2,16,20,21)(H,17,18,19)
InChIKeyLHOSDLZSJKJWAN-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.27
Rot. Bonds4

About 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide

4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide (PubChem CID 171087301) has the molecular formula C14H15FN4O2S and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide
PubChem CID171087301
Molecular FormulaC14H15FN4O2S
Molecular Weight322.37 g/mol
Exact Mass322.09
IUPAC Name4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc(C3CCC3)cn2)c(F)c1
InChIInChI=1S/C14H15FN4O2S/c15-12-6-11(22(16,20)21)4-5-13(12)19-14-17-7-10(8-18-14)9-2-1-3-9/h4-9H,1-3H2,(H2,16,20,21)(H,17,18,19)
InChIKeyLHOSDLZSJKJWAN-UHFFFAOYSA-N
XLogP2.27
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide 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

4-[[5-[3-[4-(1,4-diazepan-1-yl)pyrimidin-2-yl]oxycyclobutyl]pyrimidin-2-yl]amino]-3-fluorobenzenesulfonamide
CID 171087583
[(1R,3S)-3-[2-(2-fluoro-4-sulfamoylanilino)pyrimidin-5-yl]cyclopentyl] N-[(1S)-1-(3-cyanophenyl)ethyl]carbamate
CID 171087477
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
3-fluoro-4-[(12-oxospiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
CID 162360067
4-[[4-[(1S,2R)-5,5-difluoro-2-hydroxycyclohexyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-fluorobenzenesulfonamide
CID 177300120
4-[[4-[(1S,2R)-4,4-difluoro-2-hydroxycyclohexyl]oxy-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-fluorobenzenesulfonamide
CID 177300376
[(3S)-3-[2-[2-fluoro-4-(propan-2-ylsulfamoyl)anilino]pyrimidin-5-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
CID 171087206
3-fluoro-4-[[4-[1-(oxetan-3-yl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 166535094
4-[(2-amino-1-cyclopentylethyl)amino]-3-fluorobenzenesulfonamide
CID 106738233
2-cyclopropyl-2-(2-fluoro-4-sulfamoylanilino)propanoic acid
CID 64670271
[3-[3-(2-fluoro-4-sulfamoylanilino)-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 177076305
N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 63297241

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide (CID 171087301) is 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc(C3CCC3)cn2)c(F)c1.
What is the InChIKey of 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide?
The InChIKey is LHOSDLZSJKJWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2S/c15-12-6-11(22(16,20)21)4-5-13(12)19-14-17-7-10(8-18-14)9-2-1-3-9/h4-9H,1-3H2,(H2,16,20,21)(H,17,18,19).
What are the key properties of 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide?
4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide has a molecular weight of 322.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclobutylpyrimidin-2-yl)amino]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 171087301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).