4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide

C16H18ClNO2S — CID 3749780

IUPAC4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-2-13-3-5-14(6-4-13)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h3-10,18H,2,11-12H2,1H3
InChIKeyOCKNJYUNKRRENV-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.42
Rot. Bonds6

About 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide

4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide (PubChem CID 3749780) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
PubChem CID3749780
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
SMILESCCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO2S/c1-2-13-3-5-14(6-4-13)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h3-10,18H,2,11-12H2,1H3
InChIKeyOCKNJYUNKRRENV-UHFFFAOYSA-N
XLogP3.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide (CID 3749780) is 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide is CCc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is OCKNJYUNKRRENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-2-13-3-5-14(6-4-13)11-12-18-21(19,20)16-9-7-15(17)8-10-16/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3749780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).