5-bromo-2-chloro-4-methylbenzenesulfonamide

C7H7BrClNO2S — CID 131418544

IUPAC5-bromo-2-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyRZJYBSYPLQSWSP-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 5-bromo-2-chloro-4-methylbenzenesulfonamide

5-bromo-2-chloro-4-methylbenzenesulfonamide (PubChem CID 131418544) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-4-methylbenzenesulfonamide
PubChem CID131418544
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name5-bromo-2-chloro-4-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(S(N)(=O)=O)cc1Br
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyRZJYBSYPLQSWSP-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Bromo-5-chlorophenyl)methanesulfonamide
CID 66157489
1-Bromo-4-chloro-2-methyl-5-methylsulfonylbenzene
CID 10221442
5-bromo-2-chloro-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470013
4-(Bromomethyl)-2-chlorobenzenesulfonamide
CID 125468106
3-Bromo-2-chloro-4-methylbenzenesulfonyl iodide
CID 154405109
5-Bromo-2-chloro-4-methylbenzenesulfonyl chloride
CID 125467972
5-Bromo-2-chloro-4-cyanobenzenesulfonyl chloride
CID 131054325
5-Bromo-2-chloro-3-methylbenzenesulfonamide
CID 131537671
2-Bromo-5-chloro-3-methylbenzenesulfonamide
CID 131538706
2-Bromo-6-chloro-4-methylbenzene-1-sulfonamide
CID 131538708
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709
3-Bromo-6-chloro-2-methylbenzenesulfonamide
CID 131538712

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-4-methylbenzenesulfonamide (CID 131418544) is 5-bromo-2-chloro-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-4-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-4-methylbenzenesulfonamide is Cc1cc(Cl)c(S(N)(=O)=O)cc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-methylbenzenesulfonamide?
The InChIKey is RZJYBSYPLQSWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-2-chloro-4-methylbenzenesulfonamide?
5-bromo-2-chloro-4-methylbenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-methylbenzenesulfonamide is sourced from PubChem (CID 131418544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).