4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide

C15H15BrClNO2S — CID 60640413

IUPAC4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO2S/c1-11-10-14(6-7-15(11)16)21(19,20)18-9-8-12-2-4-13(17)5-3-12/h2-7,10,18H,8-9H2,1H3
InChIKeyAYRPHTHYRQLNAM-UHFFFAOYSA-N
MW388.71 g/mol
LogP3.93
Rot. Bonds5

About 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide

4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 60640413) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID60640413
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C15H15BrClNO2S/c1-11-10-14(6-7-15(11)16)21(19,20)18-9-8-12-2-4-13(17)5-3-12/h2-7,10,18H,8-9H2,1H3
InChIKeyAYRPHTHYRQLNAM-UHFFFAOYSA-N
XLogP3.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
3-bromo-N-[2-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 7514376
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
N-[(4-chlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680628
5-(4-chlorophenyl)sulfonyl-2-methyl-N-[2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 57430116
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-bromo-3-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606030
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
CID 16890429

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide (CID 60640413) is 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is AYRPHTHYRQLNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11-10-14(6-7-15(11)16)21(19,20)18-9-8-12-2-4-13(17)5-3-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide?
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 60640413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).