2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide

C14H12Br2ClNO2S — CID 81428591

IUPAC2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Br
InChIInChI=1S/C14H12Br2ClNO2S/c1-8-6-12(16)14(7-11(8)15)21(19,20)18-13-4-3-10(17)5-9(13)2/h3-7,18H,1-2H3
InChIKeySSKYBLDLTJTUBR-UHFFFAOYSA-N
MW453.58 g/mol
LogP5.28
Rot. Bonds3

About 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide

2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 81428591) has the molecular formula C14H12Br2ClNO2S and a molecular weight of 453.58 g/mol. Its IUPAC name is 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID81428591
Molecular FormulaC14H12Br2ClNO2S
Molecular Weight453.58 g/mol
Exact Mass450.86
IUPAC Name2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Br
InChIInChI=1S/C14H12Br2ClNO2S/c1-8-6-12(16)14(7-11(8)15)21(19,20)18-13-4-3-10(17)5-9(13)2/h3-7,18H,1-2H3
InChIKeySSKYBLDLTJTUBR-UHFFFAOYSA-N
XLogP5.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.58
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576
2,5-dibromo-N-(2,4-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427013
2,5-dibromo-N-(4-iodo-2-methylphenyl)-4-methylbenzenesulfonamide
CID 81435963
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
2,5-dibromo-N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
CID 80707848
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
4-amino-3-bromo-N-(4-chloro-2-methylphenyl)benzenesulfonamide
CID 62058293
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
N-(2-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327386

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide (CID 81428591) is 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1Br.
What is the InChIKey of 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is SSKYBLDLTJTUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClNO2S/c1-8-6-12(16)14(7-11(8)15)21(19,20)18-13-4-3-10(17)5-9(13)2/h3-7,18H,1-2H3.
What are the key properties of 2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
2,5-dibromo-N-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 453.58 g/mol, XLogP of 5.28, 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-(4-chloro-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 81428591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).