4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide

C20H24ClNO3S — CID 3325701

IUPAC4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNO3S/c1-14-11-15(2)13-17(12-14)25-20-6-4-3-5-19(20)22-26(23,24)18-9-7-16(21)8-10-18/h7-13,19-20,22H,3-6H2,1-2H3
InChIKeyGVTQQKKIBNHESD-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.63
Rot. Bonds5

About 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide

4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide (PubChem CID 3325701) has the molecular formula C20H24ClNO3S and a molecular weight of 393.94 g/mol. Its IUPAC name is 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
PubChem CID3325701
Molecular FormulaC20H24ClNO3S
Molecular Weight393.94 g/mol
Exact Mass393.12
IUPAC Name4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide
SMILESCc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H24ClNO3S/c1-14-11-15(2)13-17(12-14)25-20-6-4-3-5-19(20)22-26(23,24)18-9-7-16(21)8-10-18/h7-13,19-20,22H,3-6H2,1-2H3
InChIKeyGVTQQKKIBNHESD-UHFFFAOYSA-N
XLogP4.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide (CID 3325701) is 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide is Cc1cc(C)cc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
The InChIKey is GVTQQKKIBNHESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3S/c1-14-11-15(2)13-17(12-14)25-20-6-4-3-5-19(20)22-26(23,24)18-9-7-16(21)8-10-18/h7-13,19-20,22H,3-6H2,1-2H3.
What are the key properties of 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide?
4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3,5-dimethylphenoxy)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 3325701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).