3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide

C15H16ClNO2S — CID 3482248

IUPAC3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-12-7-8-14(11-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyKDEKTCJJJAJLFX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.17
Rot. Bonds5

About 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide

3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3482248) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3482248
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-12-7-8-14(11-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3
InChIKeyKDEKTCJJJAJLFX-UHFFFAOYSA-N
XLogP3.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 3790089
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
2-chloro-5-methylsulfonyl-N-(2-phenylethyl)benzenesulfonamide
CID 134043562
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
3-(methylaminomethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 106060159
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 3482248) is 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is KDEKTCJJJAJLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-12-7-8-14(11-15(12)16)20(18,19)17-10-9-13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide?
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3482248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).