4-(3-methylbutan-2-ylsulfamoyl)benzoic acid

C12H17NO4S — CID 21307132

IUPAC4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-8(2)9(3)13-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-9,13H,1-3H3,(H,14,15)
InChIKeyUNMTUMQAIVNDCN-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.71
Rot. Bonds5

About 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid

4-(3-methylbutan-2-ylsulfamoyl)benzoic acid (PubChem CID 21307132) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
PubChem CID21307132
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
SMILESCC(C)C(C)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-8(2)9(3)13-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-9,13H,1-3H3,(H,14,15)
InChIKeyUNMTUMQAIVNDCN-UHFFFAOYSA-N
XLogP1.71
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
4-tert-butyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 42999390
ethyl 4-(3-methylbutan-2-ylsulfamoyl)benzoate
CID 51169036
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
4-(3-methylbutan-2-ylsulfamoyl)benzenesulfonyl chloride
CID 43131428
4-fluoro-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43084932
4-methyl-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43088942
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914226
4-(2-methylpropylsulfamoyl)benzoic acid
CID 611819
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid (CID 21307132) is 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid is CC(C)C(C)NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid?
The InChIKey is UNMTUMQAIVNDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8(2)9(3)13-18(16,17)11-6-4-10(5-7-11)12(14)15/h4-9,13H,1-3H3,(H,14,15).
What are the key properties of 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid?
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 21307132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).