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

C17H21ClN4O2S — CID 3165103

IUPAC4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2S/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
InChIKeyHSVHBRHOVGUBMI-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.69
Rot. Bonds4

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

4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide (PubChem CID 3165103) has the molecular formula C17H21ClN4O2S and a molecular weight of 380.90 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide
PubChem CID3165103
Molecular FormulaC17H21ClN4O2S
Molecular Weight380.90 g/mol
Exact Mass380.11
IUPAC Name4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide
SMILESCc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1
InChIInChI=1S/C17H21ClN4O2S/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
InChIKeyHSVHBRHOVGUBMI-UHFFFAOYSA-N
XLogP2.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide (CID 3165103) is 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide is Cc1cc(N2CCC(NS(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1.
What is the InChIKey of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is HSVHBRHOVGUBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2S/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.
What are the key properties of 4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide?
4-chloro-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 380.90 g/mol, XLogP of 2.69, 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 is sourced from PubChem (CID 3165103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).