5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid

C14H19NO4S — CID 115591314

IUPAC5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-9-3-6-12(7-13(9)14(16)17)20(18,19)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyGIPZWFNCKYQFKB-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.02
Rot. Bonds6

About 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid

5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid (PubChem CID 115591314) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
PubChem CID115591314
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
SMILESCc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1C(=O)O
InChIInChI=1S/C14H19NO4S/c1-9-3-6-12(7-13(9)14(16)17)20(18,19)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,17)
InChIKeyGIPZWFNCKYQFKB-UHFFFAOYSA-N
XLogP2.02
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-cyclopropylpropylsulfamoyl)-2-fluorobenzoic acid
CID 115591315
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
CID 114099289
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
N-cyclohexyl-2-methyl-5-(2-methylpropylsulfamoyl)benzamide
CID 3877568
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-[(5-hydroxy-4-methylpentyl)sulfamoyl]-2-methylbenzoic acid
CID 106155990
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid?
The IUPAC name of 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid (CID 115591314) is 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid.
What is the SMILES notation for 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid?
The canonical SMILES for 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid is Cc1ccc(S(=O)(=O)NCC(C)C2CC2)cc1C(=O)O.
What is the InChIKey of 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid?
The InChIKey is GIPZWFNCKYQFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-3-6-12(7-13(9)14(16)17)20(18,19)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,17).
What are the key properties of 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid?
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid has a molecular weight of 297.38 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid is sourced from PubChem (CID 115591314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).