2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide

C15H15Br2NO2S — CID 60732136

IUPAC2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-10-3-8-15(14(17)9-10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3
InChIKeyOZFPUJPVOISXBA-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.56
Rot. Bonds4

About 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide

2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 60732136) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID60732136
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-10-3-8-15(14(17)9-10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3
InChIKeyOZFPUJPVOISXBA-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
2-bromo-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115622947
N-[(2R)-1-aminopropan-2-yl]-2-bromo-4-methylbenzenesulfonamide
CID 104873294
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
4-amino-2-bromo-N-[1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 61105575
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107868995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide (CID 60732136) is 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)c2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is OZFPUJPVOISXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-10-3-8-15(14(17)9-10)21(19,20)18-11(2)12-4-6-13(16)7-5-12/h3-9,11,18H,1-2H3.
What are the key properties of 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide?
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 60732136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).