2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide

C13H9Br3ClNO2S — CID 81319576

IUPAC2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C13H9Br3ClNO2S/c1-7-4-11(16)13(6-9(7)14)21(19,20)18-12-3-2-8(17)5-10(12)15/h2-6,18H,1H3
InChIKeyDDUNBROXKCHBMH-UHFFFAOYSA-N
MW518.45 g/mol
LogP5.74
Rot. Bonds3

About 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 81319576) has the molecular formula C13H9Br3ClNO2S and a molecular weight of 518.45 g/mol. Its IUPAC name is 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
PubChem CID81319576
Molecular FormulaC13H9Br3ClNO2S
Molecular Weight518.45 g/mol
Exact Mass514.76
IUPAC Name2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C13H9Br3ClNO2S/c1-7-4-11(16)13(6-9(7)14)21(19,20)18-12-3-2-8(17)5-10(12)15/h2-6,18H,1H3
InChIKeyDDUNBROXKCHBMH-UHFFFAOYSA-N
XLogP5.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.45
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81428591
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
5-amino-N-(2-bromo-4-chlorophenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 81252515
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide (CID 81319576) is 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2Br)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is DDUNBROXKCHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br3ClNO2S/c1-7-4-11(16)13(6-9(7)14)21(19,20)18-12-3-2-8(17)5-10(12)15/h2-6,18H,1H3.
What are the key properties of 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 518.45 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81319576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).