4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

C15H16ClNO2S — CID 18083103

IUPAC4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3
InChIKeyBUOZDPZARVPESJ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide

4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 18083103) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
PubChem CID18083103
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3
InChIKeyBUOZDPZARVPESJ-UHFFFAOYSA-N
XLogP3.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide (CID 18083103) is 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is Cc1ccccc1C(C)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is BUOZDPZARVPESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-11-5-3-4-6-15(11)12(2)17-20(18,19)14-9-7-13(16)8-10-14/h3-10,12,17H,1-2H3.
What are the key properties of 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 18083103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).