2-bromo-6-methylbenzenesulfonamide

C7H8BrNO2S — CID 119015332

IUPAC2-bromo-6-methylbenzenesulfonamide
SMILESCc1cccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H8BrNO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyAZJQRXQXWXWKQP-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.40
Rot. Bonds1

About 2-bromo-6-methylbenzenesulfonamide

2-bromo-6-methylbenzenesulfonamide (PubChem CID 119015332) has the molecular formula C7H8BrNO2S and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-bromo-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-6-methylbenzenesulfonamide
PubChem CID119015332
Molecular FormulaC7H8BrNO2S
Molecular Weight250.12 g/mol
Exact Mass248.95
IUPAC Name2-bromo-6-methylbenzenesulfonamide
SMILESCc1cccc(Br)c1S(N)(=O)=O
InChIInChI=1S/C7H8BrNO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyAZJQRXQXWXWKQP-UHFFFAOYSA-N
XLogP1.40
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-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

3-Bromophenyl-difluoromethanesulfonamide
CID 11687831
5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
2-Bromo-4-(trifluoromethyl)benzenesulfonamide
CID 2778398
4-Bromo-2-methylbenzenesulfonyl chloride
CID 2781338
4-Bromo-3-methylbenzenesulfonamide
CID 2737409
4-Bromo-2-ethylbenzenesulfonyl chloride
CID 2737536
4-Bromo-2-(trifluoromethyl)benzenesulfonamide
CID 2778392
2-Bromo-4-methylbenzene-1-sulfonyl chloride
CID 13394535
2-Bromo-5-methylbenzene-1-sulfonamide
CID 14664790
3-Bromo-4-methylbenzene-1-sulfonamide
CID 18400117
(3-Bromophenyl)methanesulfonamide
CID 50998650
2-Bromo-6-methylbenzene-1-sulfonyl chloride
CID 58509331

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-6-methylbenzenesulfonamide (CID 119015332) is 2-bromo-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-6-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-6-methylbenzenesulfonamide is Cc1cccc(Br)c1S(N)(=O)=O.
What is the InChIKey of 2-bromo-6-methylbenzenesulfonamide?
The InChIKey is AZJQRXQXWXWKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2S/c1-5-3-2-4-6(8)7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 2-bromo-6-methylbenzenesulfonamide?
2-bromo-6-methylbenzenesulfonamide has a molecular weight of 250.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylbenzenesulfonamide is sourced from PubChem (CID 119015332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).