4-chloro-N-(4-ethylphenyl)benzenesulfonamide

C14H14ClNO2S — CID 710437

IUPAC4-chloro-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-2-11-3-7-13(8-4-11)16-19(17,18)14-9-5-12(15)6-10-14/h3-10,16H,2H2,1H3
InChIKeyJKKPUSMYLQAMPT-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-N-(4-ethylphenyl)benzenesulfonamide

4-chloro-N-(4-ethylphenyl)benzenesulfonamide (PubChem CID 710437) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethylphenyl)benzenesulfonamide
PubChem CID710437
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name4-chloro-N-(4-ethylphenyl)benzenesulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H14ClNO2S/c1-2-11-3-7-13(8-4-11)16-19(17,18)14-9-5-12(15)6-10-14/h3-10,16H,2H2,1H3
InChIKeyJKKPUSMYLQAMPT-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-ethylphenyl)benzenesulfonamide (CID 710437) is 4-chloro-N-(4-ethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-ethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-ethylphenyl)benzenesulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-(4-ethylphenyl)benzenesulfonamide?
The InChIKey is JKKPUSMYLQAMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-2-11-3-7-13(8-4-11)16-19(17,18)14-9-5-12(15)6-10-14/h3-10,16H,2H2,1H3.
What are the key properties of 4-chloro-N-(4-ethylphenyl)benzenesulfonamide?
4-chloro-N-(4-ethylphenyl)benzenesulfonamide has a molecular weight of 295.79 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylphenyl)benzenesulfonamide is sourced from PubChem (CID 710437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).