2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

C17H19N5O2S — CID 122318009

IUPAC2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C17H19N5O2S/c1-13-10-17(22-8-4-5-9-22)21-16(20-13)12-19-25(23,24)15-7-3-2-6-14(15)11-18/h2-3,6-7,10,19H,4-5,8-9,12H2,1H3
InChIKeyPHBYWJBOBFLQQB-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.74
Rot. Bonds5

About 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide

2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (PubChem CID 122318009) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
PubChem CID122318009
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
SMILESCc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C17H19N5O2S/c1-13-10-17(22-8-4-5-9-22)21-16(20-13)12-19-25(23,24)15-7-3-2-6-14(15)11-18/h2-3,6-7,10,19H,4-5,8-9,12H2,1H3
InChIKeyPHBYWJBOBFLQQB-UHFFFAOYSA-N
XLogP1.74
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]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

2-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318153
2-cyano-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzenesulfonamide
CID 121138161
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 71807412
3-chloro-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318154
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318036
3-chloro-4-methyl-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318010
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-3-nitrobenzenesulfonamide
CID 122318438
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 122317958
5-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]thiophene-2-sulfonamide
CID 122317962
4-ethoxy-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 71807436
(E)-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]-2-phenylethenesulfonamide
CID 122318348
4-methoxy-3-methyl-N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide
CID 122318146

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide (CID 122318009) is 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is Cc1cc(N2CCCC2)nc(CNS(=O)(=O)c2ccccc2C#N)n1.
What is the InChIKey of 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is PHBYWJBOBFLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-13-10-17(22-8-4-5-9-22)21-16(20-13)12-19-25(23,24)15-7-3-2-6-14(15)11-18/h2-3,6-7,10,19H,4-5,8-9,12H2,1H3.
What are the key properties of 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide?
2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 122318009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).