4-chloro-N-cyclohexylbenzenesulfonamide

C12H16ClNO2S — CID 766387

IUPAC4-chloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyLXJLMDHHUXKUJA-UHFFFAOYSA-N
MW273.78 g/mol
LogP2.95
Rot. Bonds3

About 4-chloro-N-cyclohexylbenzenesulfonamide

4-chloro-N-cyclohexylbenzenesulfonamide (PubChem CID 766387) has the molecular formula C12H16ClNO2S and a molecular weight of 273.78 g/mol. Its IUPAC name is 4-chloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexylbenzenesulfonamide
PubChem CID766387
Molecular FormulaC12H16ClNO2S
Molecular Weight273.78 g/mol
Exact Mass273.06
IUPAC Name4-chloro-N-cyclohexylbenzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2
InChIKeyLXJLMDHHUXKUJA-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.78
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclohexylbenzenesulfonamide (CID 766387) is 4-chloro-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclohexylbenzenesulfonamide is O=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-cyclohexylbenzenesulfonamide?
The InChIKey is LXJLMDHHUXKUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h6-9,11,14H,1-5H2.
What are the key properties of 4-chloro-N-cyclohexylbenzenesulfonamide?
4-chloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 273.78 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 766387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).