2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid

C10H12BrNO4S — CID 107571632

IUPAC2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
SMILESCc1cc(NS(=O)(=O)CC(=O)O)cc(C)c1Br
InChIInChI=1S/C10H12BrNO4S/c1-6-3-8(4-7(2)10(6)11)12-17(15,16)5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyMWUQNPWQTDSDMJ-UHFFFAOYSA-N
MW322.18 g/mol
LogP1.89
Rot. Bonds4

About 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid

2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid (PubChem CID 107571632) has the molecular formula C10H12BrNO4S and a molecular weight of 322.18 g/mol. Its IUPAC name is 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
PubChem CID107571632
Molecular FormulaC10H12BrNO4S
Molecular Weight322.18 g/mol
Exact Mass320.97
IUPAC Name2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid
SMILESCc1cc(NS(=O)(=O)CC(=O)O)cc(C)c1Br
InChIInChI=1S/C10H12BrNO4S/c1-6-3-8(4-7(2)10(6)11)12-17(15,16)5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14)
InChIKeyMWUQNPWQTDSDMJ-UHFFFAOYSA-N
XLogP1.89
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
N-(4-bromo-3,5-dimethylphenyl)-4-hydroxybutane-1-sulfonamide
CID 114135739
2-(4-bromo-3,5-dimethylanilino)acetic acid
CID 107573485
2-[(2-bromo-5-chloro-4-methylphenyl)sulfamoyl]acetic acid
CID 104722416
2-[(4-acetamidophenyl)sulfamoyl]acetic acid
CID 28774285
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107575659
methyl 3-[(4-bromo-3,5-dimethylphenyl)sulfamoyl-methylamino]propanoate
CID 107571636
4-bromo-3,5-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)aniline
CID 107575153
3-(carboxymethylsulfonylamino)-4-methylbenzoic acid
CID 43715539
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
2-[2-[(4-bromo-3,5-dimethylanilino)methyl]phenyl]acetic acid
CID 107573710
2-[(4-bromo-3,5-dimethylanilino)methyl]prop-2-enoic acid
CID 107575583

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid (CID 107571632) is 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid is Cc1cc(NS(=O)(=O)CC(=O)O)cc(C)c1Br.
What is the InChIKey of 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid?
The InChIKey is MWUQNPWQTDSDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO4S/c1-6-3-8(4-7(2)10(6)11)12-17(15,16)5-9(13)14/h3-4,12H,5H2,1-2H3,(H,13,14).
What are the key properties of 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid?
2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid has a molecular weight of 322.18 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3,5-dimethylphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 107571632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).