4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide

C16H20ClN3O2S — CID 3054817

IUPAC4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)n1C1CCCCC1
InChIInChI=1S/C16H20ClN3O2S/c1-12-11-18-16(20(12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h7-11,14H,2-6H2,1H3,(H,18,19)
InChIKeyFKKNFUCALIZGRE-UHFFFAOYSA-N
MW353.88 g/mol
LogP4.15
Rot. Bonds4

About 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide

4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide (PubChem CID 3054817) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide
PubChem CID3054817
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)n1C1CCCCC1
InChIInChI=1S/C16H20ClN3O2S/c1-12-11-18-16(20(12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h7-11,14H,2-6H2,1H3,(H,18,19)
InChIKeyFKKNFUCALIZGRE-UHFFFAOYSA-N
XLogP4.15
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide (CID 3054817) is 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2)n1C1CCCCC1.
What is the InChIKey of 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide?
The InChIKey is FKKNFUCALIZGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-12-11-18-16(20(12)14-5-3-2-4-6-14)19-23(21,22)15-9-7-13(17)8-10-15/h7-11,14H,2-6H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide?
4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide has a molecular weight of 353.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclohexyl-5-methylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3054817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).