4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide

C17H19N5O3S — CID 167089931

IUPAC4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
SMILESCC1CCCC1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C#N
InChIInChI=1S/C17H19N5O3S/c1-11-3-2-4-15(11)25-16-12(9-18)10-20-17(22-16)21-13-5-7-14(8-6-13)26(19,23)24/h5-8,10-11,15H,2-4H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyXKOGDPYTYIFLKP-UHFFFAOYSA-N
MW373.44 g/mol
LogP2.31
Rot. Bonds5

About 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide

4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 167089931) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID167089931
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide
SMILESCC1CCCC1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C#N
InChIInChI=1S/C17H19N5O3S/c1-11-3-2-4-15(11)25-16-12(9-18)10-20-17(22-16)21-13-5-7-14(8-6-13)26(19,23)24/h5-8,10-11,15H,2-4H2,1H3,(H2,19,23,24)(H,20,21,22)
InChIKeyXKOGDPYTYIFLKP-UHFFFAOYSA-N
XLogP2.31
TPSA130.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide (CID 167089931) is 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide is CC1CCCC1Oc1nc(Nc2ccc(S(N)(=O)=O)cc2)ncc1C#N.
What is the InChIKey of 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is XKOGDPYTYIFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-11-3-2-4-15(11)25-16-12(9-18)10-20-17(22-16)21-13-5-7-14(8-6-13)26(19,23)24/h5-8,10-11,15H,2-4H2,1H3,(H2,19,23,24)(H,20,21,22).
What are the key properties of 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide?
4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 373.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-cyano-4-(2-methylcyclopentyl)oxypyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 167089931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).