3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide

C17H20ClN3O2S — CID 144949953

IUPAC3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(Cl)n1
InChIInChI=1S/C17H20ClN3O2S/c1-12-7-8-14(9-15(12)16-10-19-11-17(18)20-16)24(22,23)21-13-5-3-2-4-6-13/h7-11,13,21H,2-6H2,1H3
InChIKeyPVWNEHYSJWJHQX-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.72
Rot. Bonds4

About 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide

3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide (PubChem CID 144949953) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
PubChem CID144949953
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(Cl)n1
InChIInChI=1S/C17H20ClN3O2S/c1-12-7-8-14(9-15(12)16-10-19-11-17(18)20-16)24(22,23)21-13-5-3-2-4-6-13/h7-11,13,21H,2-6H2,1H3
InChIKeyPVWNEHYSJWJHQX-UHFFFAOYSA-N
XLogP3.72
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
The IUPAC name of 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide (CID 144949953) is 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
The canonical SMILES for 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1-c1cncc(Cl)n1.
What is the InChIKey of 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
The InChIKey is PVWNEHYSJWJHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-12-7-8-14(9-15(12)16-10-19-11-17(18)20-16)24(22,23)21-13-5-3-2-4-6-13/h7-11,13,21H,2-6H2,1H3.
What are the key properties of 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide?
3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide has a molecular weight of 365.89 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrazin-2-yl)-N-cyclohexyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 144949953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).