4-bromo-2-methoxybenzenesulfonamide

C7H8BrNO3S — CID 21129172

IUPAC4-bromo-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8BrNO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyUTHDGJIMJMUXMN-UHFFFAOYSA-N
MW266.12 g/mol
LogP1.11
Rot. Bonds2

About 4-bromo-2-methoxybenzenesulfonamide

4-bromo-2-methoxybenzenesulfonamide (PubChem CID 21129172) has the molecular formula C7H8BrNO3S and a molecular weight of 266.12 g/mol. Its IUPAC name is 4-bromo-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-methoxybenzenesulfonamide
PubChem CID21129172
Molecular FormulaC7H8BrNO3S
Molecular Weight266.12 g/mol
Exact Mass264.94
IUPAC Name4-bromo-2-methoxybenzenesulfonamide
SMILESCOc1cc(Br)ccc1S(N)(=O)=O
InChIInChI=1S/C7H8BrNO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)
InChIKeyUTHDGJIMJMUXMN-UHFFFAOYSA-N
XLogP1.11
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-methoxybenzenesulfonamide 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-amino-4-(5-bromo-2-methoxyanilino)benzenesulfonamide
CID 79466769
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
2-methoxy-4-(2-oxopropyl)benzenesulfonamide
CID 163498161
4-bromo-2-(1-bromoethyl)benzenesulfonamide
CID 174997460
4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 43246875
N-(4-amino-3-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824835
N-(3-amino-4-methoxyphenyl)-2,4-dibromobenzenesulfonamide
CID 60824367
4-(azidomethyl)-2-methoxybenzenesulfonamide
CID 59667698

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxybenzenesulfonamide?
The IUPAC name of 4-bromo-2-methoxybenzenesulfonamide (CID 21129172) is 4-bromo-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-2-methoxybenzenesulfonamide is COc1cc(Br)ccc1S(N)(=O)=O.
What is the InChIKey of 4-bromo-2-methoxybenzenesulfonamide?
The InChIKey is UTHDGJIMJMUXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11).
What are the key properties of 4-bromo-2-methoxybenzenesulfonamide?
4-bromo-2-methoxybenzenesulfonamide has a molecular weight of 266.12 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxybenzenesulfonamide is sourced from PubChem (CID 21129172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).