5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide

C15H15BrClNO2S — CID 60660568

IUPAC5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNO2S/c1-10-6-7-13(16)9-15(10)21(19,20)18-11(2)12-4-3-5-14(17)8-12/h3-9,11,18H,1-2H3
InChIKeyYIIXKFYUZPMQBW-UHFFFAOYSA-N
MW388.71 g/mol
LogP4.45
Rot. Bonds4

About 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide

5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 60660568) has the molecular formula C15H15BrClNO2S and a molecular weight of 388.71 g/mol. Its IUPAC name is 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID60660568
Molecular FormulaC15H15BrClNO2S
Molecular Weight388.71 g/mol
Exact Mass386.97
IUPAC Name5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1
InChIInChI=1S/C15H15BrClNO2S/c1-10-6-7-13(16)9-15(10)21(19,20)18-11(2)12-4-3-5-14(17)8-12/h3-9,11,18H,1-2H3
InChIKeyYIIXKFYUZPMQBW-UHFFFAOYSA-N
XLogP4.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.71
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide (CID 60660568) is 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC(C)c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is YIIXKFYUZPMQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2S/c1-10-6-7-13(16)9-15(10)21(19,20)18-11(2)12-4-3-5-14(17)8-12/h3-9,11,18H,1-2H3.
What are the key properties of 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide?
5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 388.71 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60660568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).