4-(dicyclopropylmethylsulfamoyl)benzoic acid

C14H17NO4S — CID 60715455

IUPAC4-(dicyclopropylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C14H17NO4S/c16-14(17)11-5-7-12(8-6-11)20(18,19)15-13(9-1-2-9)10-3-4-10/h5-10,13,15H,1-4H2,(H,16,17)
InChIKeyYYOBACKPRHYZCF-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds6

About 4-(dicyclopropylmethylsulfamoyl)benzoic acid

4-(dicyclopropylmethylsulfamoyl)benzoic acid (PubChem CID 60715455) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(dicyclopropylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dicyclopropylmethylsulfamoyl)benzoic acid
PubChem CID60715455
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name4-(dicyclopropylmethylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C14H17NO4S/c16-14(17)11-5-7-12(8-6-11)20(18,19)15-13(9-1-2-9)10-3-4-10/h5-10,13,15H,1-4H2,(H,16,17)
InChIKeyYYOBACKPRHYZCF-UHFFFAOYSA-N
XLogP1.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
CID 60715494
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
CID 61481014
4-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 21307132
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
2-[(4-acetylphenyl)sulfonylamino]-2-cyclopropylacetic acid
CID 62695392
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-(3,3-dimethylbutan-2-ylsulfamoyl)benzoic acid
CID 104827566
4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-acetyl-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816993
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclopropylmethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dicyclopropylmethylsulfamoyl)benzoic acid (CID 60715455) is 4-(dicyclopropylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dicyclopropylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dicyclopropylmethylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of 4-(dicyclopropylmethylsulfamoyl)benzoic acid?
The InChIKey is YYOBACKPRHYZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c16-14(17)11-5-7-12(8-6-11)20(18,19)15-13(9-1-2-9)10-3-4-10/h5-10,13,15H,1-4H2,(H,16,17).
What are the key properties of 4-(dicyclopropylmethylsulfamoyl)benzoic acid?
4-(dicyclopropylmethylsulfamoyl)benzoic acid has a molecular weight of 295.36 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-(dicyclopropylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 60715455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).