2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide

C15H15Br2NO2S — CID 46567304

IUPAC2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3
InChIKeyIFGOMEGXQXWRMY-UHFFFAOYSA-N
MW433.17 g/mol
LogP4.34
Rot. Bonds4

About 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide

2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 46567304) has the molecular formula C15H15Br2NO2S and a molecular weight of 433.17 g/mol. Its IUPAC name is 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
PubChem CID46567304
Molecular FormulaC15H15Br2NO2S
Molecular Weight433.17 g/mol
Exact Mass430.92
IUPAC Name2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Br)c1
InChIInChI=1S/C15H15Br2NO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3
InChIKeyIFGOMEGXQXWRMY-UHFFFAOYSA-N
XLogP4.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.17
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
2-amino-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 61107779
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
4-amino-2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 43256596
2,4-dibromo-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61216392
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-amino-5-bromo-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105733
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
2,5-dibromo-N-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 61060458
2,4-dibromo-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 61217796
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide (CID 46567304) is 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Br)cc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is IFGOMEGXQXWRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NO2S/c1-11-3-8-15(14(17)9-11)21(19,20)18(2)10-12-4-6-13(16)7-5-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide?
2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 433.17 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(4-bromophenyl)methyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 46567304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).