N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide

C18H23N3O2S2 — CID 2912155

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
SMILESCc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S2/c1-13-12-14(2)20-18(19-13)24-17-11-7-6-10-16(17)21-25(22,23)15-8-4-3-5-9-15/h3-5,8-9,12,16-17,21H,6-7,10-11H2,1-2H3
InChIKeyWSSVQWSOOBVJAU-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.48
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide

N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide (PubChem CID 2912155) has the molecular formula C18H23N3O2S2 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
PubChem CID2912155
Molecular FormulaC18H23N3O2S2
Molecular Weight377.54 g/mol
Exact Mass377.12
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide
SMILESCc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C18H23N3O2S2/c1-13-12-14(2)20-18(19-13)24-17-11-7-6-10-16(17)21-25(22,23)15-8-4-3-5-9-15/h3-5,8-9,12,16-17,21H,6-7,10-11H2,1-2H3
InChIKeyWSSVQWSOOBVJAU-UHFFFAOYSA-N
XLogP3.48
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide (CID 2912155) is N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide is Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
The InChIKey is WSSVQWSOOBVJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S2/c1-13-12-14(2)20-18(19-13)24-17-11-7-6-10-16(17)21-25(22,23)15-8-4-3-5-9-15/h3-5,8-9,12,16-17,21H,6-7,10-11H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide has a molecular weight of 377.54 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2912155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).