5-bromo-2-chloro-3-methylbenzenesulfonamide

C7H7BrClNO2S — CID 131537671

IUPAC5-bromo-2-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyKXJFJBXZAUGHDT-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 5-bromo-2-chloro-3-methylbenzenesulfonamide

5-bromo-2-chloro-3-methylbenzenesulfonamide (PubChem CID 131537671) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-3-methylbenzenesulfonamide
PubChem CID131537671
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name5-bromo-2-chloro-3-methylbenzenesulfonamide
SMILESCc1cc(Br)cc(S(N)(=O)=O)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyKXJFJBXZAUGHDT-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-3-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

5-Bromo-2-chloro-4-fluoro-3-methylbenzenesulfonic acid
CID 152627418
5-Bromo-2-chloro-3-(4-fluorophenyl)benzenesulfonamide
CID 174947290
3-Bromo-4-chloro-5-methylbenzenesulfonic acid
CID 6426130
3-(5-Bromo-2-chlorophenyl)benzenesulfonamide
CID 142783754
2-Bromo-5-chloro-4-methylbenzenesulfonamide
CID 50876692
3-Bromo-2-chloro-5-methylbenzenesulfonyl chloride
CID 50999474
(5-Bromo-2-chlorophenyl)methanesulfonamide
CID 71757697
3-Bromo-5-(chloromethyl)benzenesulfonamide
CID 103597604
5-Bromo-2-chloro-3-cyanobenzenesulfonyl chloride
CID 131050911
6-Bromo-2-chloro-3-methylbenzenesulfonamide
CID 131415090
5-Bromo-2-chloro-4-methylbenzenesulfonamide
CID 131418544
3-Bromo-2-chloro-5-methylbenzenesulfonamide
CID 131538710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-3-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-3-methylbenzenesulfonamide (CID 131537671) is 5-bromo-2-chloro-3-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-3-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-3-methylbenzenesulfonamide is Cc1cc(Br)cc(S(N)(=O)=O)c1Cl.
What is the InChIKey of 5-bromo-2-chloro-3-methylbenzenesulfonamide?
The InChIKey is KXJFJBXZAUGHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-5(8)3-6(7(4)9)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-2-chloro-3-methylbenzenesulfonamide?
5-bromo-2-chloro-3-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-3-methylbenzenesulfonamide is sourced from PubChem (CID 131537671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).