4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide

C18H20ClNO3S — CID 1190531

IUPAC4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-5-9-18(17)23-15-10-12-16(13-11-15)24(21,22)20-14-6-2-1-3-7-14/h4-5,8-14,20H,1-3,6-7H2
InChIKeyKKRVUVICDSKWSD-UHFFFAOYSA-N
MW365.88 g/mol
LogP4.74
Rot. Bonds5

About 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide

4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide (PubChem CID 1190531) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide
PubChem CID1190531
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO3S/c19-17-8-4-5-9-18(17)23-15-10-12-16(13-11-15)24(21,22)20-14-6-2-1-3-7-14/h4-5,8-14,20H,1-3,6-7H2
InChIKeyKKRVUVICDSKWSD-UHFFFAOYSA-N
XLogP4.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide (CID 1190531) is 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide?
The InChIKey is KKRVUVICDSKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-17-8-4-5-9-18(17)23-15-10-12-16(13-11-15)24(21,22)20-14-6-2-1-3-7-14/h4-5,8-14,20H,1-3,6-7H2.
What are the key properties of 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide?
4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 1190531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).