4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide

C17H23N5O2S — CID 134712640

IUPAC4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESCCc1cc(NCc2ccc(S(N)(=O)=O)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N5O2S/c1-2-14-11-16(21-17(20-14)22-9-3-4-10-22)19-12-13-5-7-15(8-6-13)25(18,23)24/h5-8,11H,2-4,9-10,12H2,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyCUCYHXAJQMWOQZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.90
Rot. Bonds6

About 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide

4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 134712640) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID134712640
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide
SMILESCCc1cc(NCc2ccc(S(N)(=O)=O)cc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N5O2S/c1-2-14-11-16(21-17(20-14)22-9-3-4-10-22)19-12-13-5-7-15(8-6-13)25(18,23)24/h5-8,11H,2-4,9-10,12H2,1H3,(H2,18,23,24)(H,19,20,21)
InChIKeyCUCYHXAJQMWOQZ-UHFFFAOYSA-N
XLogP1.90
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]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

4-[2-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112922508
6-ethyl-N-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62192871
4-[[(3-bromo-1-methyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539162
4-ethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122352319
4-[2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112913985
4-[2-[[3-(azepan-1-yl)-1,2,4-triazin-5-yl]amino]ethyl]benzenesulfonamide
CID 112955931
4-[[(1-methyl-6-pyrrolidin-1-ylpyrazolo[5,4-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
CID 156539257
1-[2-[2-[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl-methylamino]ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 25116663
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
6-ethyl-2-morpholin-4-yl-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 50967293
5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 134710911

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide (CID 134712640) is 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide is CCc1cc(NCc2ccc(S(N)(=O)=O)cc2)nc(N2CCCC2)n1.
What is the InChIKey of 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is CUCYHXAJQMWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-14-11-16(21-17(20-14)22-9-3-4-10-22)19-12-13-5-7-15(8-6-13)25(18,23)24/h5-8,11H,2-4,9-10,12H2,1H3,(H2,18,23,24)(H,19,20,21).
What are the key properties of 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 361.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 134712640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).