4-bromo-1-methyl-2-(sulfamoylamino)benzene

C7H9BrN2O2S — CID 112573557

IUPAC4-bromo-1-methyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(Br)cc1NS(N)(=O)=O
InChIInChI=1S/C7H9BrN2O2S/c1-5-2-3-6(8)4-7(5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12)
InChIKeyKLACWIVENRFXDR-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.37
Rot. Bonds2

About 4-bromo-1-methyl-2-(sulfamoylamino)benzene

4-bromo-1-methyl-2-(sulfamoylamino)benzene (PubChem CID 112573557) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is 4-bromo-1-methyl-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name4-bromo-1-methyl-2-(sulfamoylamino)benzene
PubChem CID112573557
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC Name4-bromo-1-methyl-2-(sulfamoylamino)benzene
SMILESCc1ccc(Br)cc1NS(N)(=O)=O
InChIInChI=1S/C7H9BrN2O2S/c1-5-2-3-6(8)4-7(5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12)
InChIKeyKLACWIVENRFXDR-UHFFFAOYSA-N
XLogP1.37
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 65206477
3-amino-4-bromo-N-(5-bromo-2-methylphenyl)benzenesulfonamide
CID 115328843
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
CID 43806682
1-amino-2,5-dimethyl-4-(sulfamoylamino)benzene
CID 103144711
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(5-bromo-2-methylphenyl)thiophene-2-sulfonamide
CID 3864055
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzenesulfonamide
CID 62146330
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
3-amino-N-(5-bromo-2-methylphenyl)pyridine-2-sulfonamide
CID 103304878

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-2-(sulfamoylamino)benzene?
The IUPAC name of 4-bromo-1-methyl-2-(sulfamoylamino)benzene (CID 112573557) is 4-bromo-1-methyl-2-(sulfamoylamino)benzene.
What is the SMILES notation for 4-bromo-1-methyl-2-(sulfamoylamino)benzene?
The canonical SMILES for 4-bromo-1-methyl-2-(sulfamoylamino)benzene is Cc1ccc(Br)cc1NS(N)(=O)=O.
What is the InChIKey of 4-bromo-1-methyl-2-(sulfamoylamino)benzene?
The InChIKey is KLACWIVENRFXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-5-2-3-6(8)4-7(5)10-13(9,11)12/h2-4,10H,1H3,(H2,9,11,12).
What are the key properties of 4-bromo-1-methyl-2-(sulfamoylamino)benzene?
4-bromo-1-methyl-2-(sulfamoylamino)benzene has a molecular weight of 265.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-2-(sulfamoylamino)benzene is sourced from PubChem (CID 112573557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).