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

C15H15BrClNO2S — CID 46566791

IUPAC2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-2-7-15(14(16)10-11)21(19,20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,18H,8-9H2,1H3
InChIKeyLBDJKCXLNQRFPU-UHFFFAOYSA-N
MW388.71 g/mol
LogP3.93
Rot. Bonds5

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

2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 46566791) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID46566791
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C15H15BrClNO2S/c1-11-2-7-15(14(16)10-11)21(19,20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,18H,8-9H2,1H3
InChIKeyLBDJKCXLNQRFPU-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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide (CID 46566791) is 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is LBDJKCXLNQRFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-11-2-7-15(14(16)10-11)21(19,20)18-9-8-12-3-5-13(17)6-4-12/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide?
2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-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 2-bromo-N-[2-(4-chlorophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 46566791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).