4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride

C17H22Cl2N4O2S — CID 163326768

IUPAC4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1.Cl
InChIInChI=1S/C17H21ClN4O2S.ClH/c1-12-11-17(20-13(2)19-12)22-9-7-15(8-10-22)21-25(23,24)16-5-3-14(18)4-6-16;/h3-6,11,15,21H,7-10H2,1-2H3;1H
InChIKeyDDPJZEBYSDRBCM-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.12
Rot. Bonds4

About 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride

4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride (PubChem CID 163326768) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
PubChem CID163326768
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC Name4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1.Cl
InChIInChI=1S/C17H21ClN4O2S.ClH/c1-12-11-17(20-13(2)19-12)22-9-7-15(8-10-22)21-25(23,24)16-5-3-14(18)4-6-16;/h3-6,11,15,21H,7-10H2,1-2H3;1H
InChIKeyDDPJZEBYSDRBCM-UHFFFAOYSA-N
XLogP3.12
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride 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

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-4-methoxybenzenesulfonamide
CID 5303878
6-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 133336161
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
1-(2,6-dimethylpyrimidin-4-yl)-N-(2-fluorophenyl)piperidin-4-amine
CID 133330878
3-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyridin-2-amine
CID 122141204
4-chloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27478593
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
2-[(5-chloro-2-pyridinyl)-methylamino]-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 167936696
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119897687
N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 133373762

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride (CID 163326768) is 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride is Cc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1.Cl.
What is the InChIKey of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
The InChIKey is DDPJZEBYSDRBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S.ClH/c1-12-11-17(20-13(2)19-12)22-9-7-15(8-10-22)21-25(23,24)16-5-3-14(18)4-6-16;/h3-6,11,15,21H,7-10H2,1-2H3;1H.
What are the key properties of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride?
4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride has a molecular weight of 417.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 163326768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).