4-(pentan-2-ylsulfamoyl)benzoic acid

C12H17NO4S — CID 18073108

IUPAC4-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-3-4-9(2)13-18(16,17)11-7-5-10(6-8-11)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyAMJVSJSUZGRWFW-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.85
Rot. Bonds6

About 4-(pentan-2-ylsulfamoyl)benzoic acid

4-(pentan-2-ylsulfamoyl)benzoic acid (PubChem CID 18073108) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(pentan-2-ylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(pentan-2-ylsulfamoyl)benzoic acid
PubChem CID18073108
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name4-(pentan-2-ylsulfamoyl)benzoic acid
SMILESCCCC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H17NO4S/c1-3-4-9(2)13-18(16,17)11-7-5-10(6-8-11)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyAMJVSJSUZGRWFW-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-[[(2S)-pentan-2-yl]amino]-3-[[(2S)-pentan-2-yl]sulfamoyl]benzoic acid
CID 99981030
4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 43506825
methyl 4-(butan-2-ylsulfamoyl)benzoate
CID 60681168
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 43141079
3-[[(2R)-pentan-2-yl]sulfamoyl]-4-(propylamino)benzoic acid
CID 99980772
2-(butan-2-ylamino)-5-(pentan-2-ylsulfamoyl)benzoic acid
CID 132652397
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183

Frequently Asked Questions

What is the IUPAC name of 4-(pentan-2-ylsulfamoyl)benzoic acid?
The IUPAC name of 4-(pentan-2-ylsulfamoyl)benzoic acid (CID 18073108) is 4-(pentan-2-ylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(pentan-2-ylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(pentan-2-ylsulfamoyl)benzoic acid is CCCC(C)NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(pentan-2-ylsulfamoyl)benzoic acid?
The InChIKey is AMJVSJSUZGRWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-4-9(2)13-18(16,17)11-7-5-10(6-8-11)12(14)15/h5-9,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-(pentan-2-ylsulfamoyl)benzoic acid?
4-(pentan-2-ylsulfamoyl)benzoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pentan-2-ylsulfamoyl)benzoic acid is sourced from PubChem (CID 18073108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).