4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide

C19H23ClN2O2S — CID 2912198

IUPAC4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-14-6-10-16(11-7-14)21-18-4-2-3-5-19(18)22-25(23,24)17-12-8-15(20)9-13-17/h6-13,18-19,21-22H,2-5H2,1H3
InChIKeyXZCMXLDVWRCOSH-UHFFFAOYSA-N
MW378.93 g/mol
LogP4.35
Rot. Bonds5

About 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide (PubChem CID 2912198) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide
PubChem CID2912198
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide
SMILESCc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O2S/c1-14-6-10-16(11-7-14)21-18-4-2-3-5-19(18)22-25(23,24)17-12-8-15(20)9-13-17/h6-13,18-19,21-22H,2-5H2,1H3
InChIKeyXZCMXLDVWRCOSH-UHFFFAOYSA-N
XLogP4.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide (CID 2912198) is 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide is Cc1ccc(NC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
The InChIKey is XZCMXLDVWRCOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-14-6-10-16(11-7-14)21-18-4-2-3-5-19(18)22-25(23,24)17-12-8-15(20)9-13-17/h6-13,18-19,21-22H,2-5H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide has a molecular weight of 378.93 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-methylanilino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 2912198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).