4-(2-methylpropylsulfamoyl)benzoic acid

C11H15NO4S — CID 611819

IUPAC4-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyVKGRSBHIZXZUIB-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.32
Rot. Bonds5

About 4-(2-methylpropylsulfamoyl)benzoic acid

4-(2-methylpropylsulfamoyl)benzoic acid (PubChem CID 611819) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(2-methylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(2-methylpropylsulfamoyl)benzoic acid
PubChem CID611819
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-(2-methylpropylsulfamoyl)benzoic acid
SMILESCC(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
InChIKeyVKGRSBHIZXZUIB-UHFFFAOYSA-N
XLogP1.32
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
(2S)-3-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]butanoic acid
CID 119359662
N-benzyl-4-(2-methylpropylsulfamoyl)benzamide
CID 109058915
(2S)-4-methyl-2-[[4-(2-methylpropylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119361067
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
4-[2-(2-methylpropoxy)ethylsulfamoyl]benzoic acid
CID 115588284
N-(2-aminoethyl)-4-(2-methylpropylsulfamoyl)benzamide
CID 119384028
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
[4-(2-methylpropylsulfamoyl)phenyl]boronic acid
CID 91666739
3-methyl-1-[4-(2-methylpropylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256710
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylsulfamoyl)benzoic acid?
The IUPAC name of 4-(2-methylpropylsulfamoyl)benzoic acid (CID 611819) is 4-(2-methylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(2-methylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(2-methylpropylsulfamoyl)benzoic acid is CC(C)CNS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(2-methylpropylsulfamoyl)benzoic acid?
The InChIKey is VKGRSBHIZXZUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-8(2)7-12-17(15,16)10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-(2-methylpropylsulfamoyl)benzoic acid?
4-(2-methylpropylsulfamoyl)benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 611819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).