5-bromo-2-(dimethylsulfamoylamino)benzoic acid

C9H11BrN2O4S — CID 55031300

IUPAC5-bromo-2-(dimethylsulfamoylamino)benzoic acid
SMILESCN(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C9H11BrN2O4S/c1-12(2)17(15,16)11-8-4-3-6(10)5-7(8)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyXVFKWRPLETWMTR-UHFFFAOYSA-N
MW323.17 g/mol
LogP1.37
Rot. Bonds4

About 5-bromo-2-(dimethylsulfamoylamino)benzoic acid

5-bromo-2-(dimethylsulfamoylamino)benzoic acid (PubChem CID 55031300) has the molecular formula C9H11BrN2O4S and a molecular weight of 323.17 g/mol. Its IUPAC name is 5-bromo-2-(dimethylsulfamoylamino)benzoic acid.

Molecular Properties

Compound Name5-bromo-2-(dimethylsulfamoylamino)benzoic acid
PubChem CID55031300
Molecular FormulaC9H11BrN2O4S
Molecular Weight323.17 g/mol
Exact Mass321.96
IUPAC Name5-bromo-2-(dimethylsulfamoylamino)benzoic acid
SMILESCN(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O
InChIInChI=1S/C9H11BrN2O4S/c1-12(2)17(15,16)11-8-4-3-6(10)5-7(8)9(13)14/h3-5,11H,1-2H3,(H,13,14)
InChIKeyXVFKWRPLETWMTR-UHFFFAOYSA-N
XLogP1.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
3-(dimethylsulfamoylamino)naphthalene-2-carboxylic acid
CID 28788057
2-(benzylsulfonylamino)-5-bromobenzoic acid
CID 45297744
5-bromo-2-[(4-tert-butylphenyl)sulfonylamino]benzoic acid
CID 24762558
5-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 62072595
5-[(2-acetyl-4-bromophenyl)sulfamoyl]-2,4-dimethylbenzoic acid
CID 75454534
5-bromo-2-(ethylamino)benzoic acid
CID 12925315
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
4-(dimethylsulfamoylamino)-3-methylbenzoic acid
CID 28787969
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-bromo-2-(but-2-ynylamino)benzoic acid
CID 114895978
4-bromo-1-cyano-2-(dimethylsulfamoylamino)benzene
CID 107798443

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(dimethylsulfamoylamino)benzoic acid?
The IUPAC name of 5-bromo-2-(dimethylsulfamoylamino)benzoic acid (CID 55031300) is 5-bromo-2-(dimethylsulfamoylamino)benzoic acid.
What is the SMILES notation for 5-bromo-2-(dimethylsulfamoylamino)benzoic acid?
The canonical SMILES for 5-bromo-2-(dimethylsulfamoylamino)benzoic acid is CN(C)S(=O)(=O)Nc1ccc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(dimethylsulfamoylamino)benzoic acid?
The InChIKey is XVFKWRPLETWMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O4S/c1-12(2)17(15,16)11-8-4-3-6(10)5-7(8)9(13)14/h3-5,11H,1-2H3,(H,13,14).
What are the key properties of 5-bromo-2-(dimethylsulfamoylamino)benzoic acid?
5-bromo-2-(dimethylsulfamoylamino)benzoic acid has a molecular weight of 323.17 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(dimethylsulfamoylamino)benzoic acid is sourced from PubChem (CID 55031300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).