3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid

C15H19NO4S — CID 60715494

IUPAC3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H19NO4S/c1-9-2-3-12(15(17)18)8-13(9)21(19,20)16-14(10-4-5-10)11-6-7-11/h2-3,8,10-11,14,16H,4-7H2,1H3,(H,17,18)
InChIKeyOHWMMIOTZJLSRU-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.16
Rot. Bonds6

About 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid

3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid (PubChem CID 60715494) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid.

Molecular Properties

Compound Name3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
PubChem CID60715494
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1S(=O)(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H19NO4S/c1-9-2-3-12(15(17)18)8-13(9)21(19,20)16-14(10-4-5-10)11-6-7-11/h2-3,8,10-11,14,16H,4-7H2,1H3,(H,17,18)
InChIKeyOHWMMIOTZJLSRU-UHFFFAOYSA-N
XLogP2.16
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylethylsulfamoyl)-4-methylbenzoic acid
CID 43401355
4-methyl-3-(3-methylbutan-2-ylsulfamoyl)benzoic acid
CID 43088942
4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
4-(dicyclopropylmethylsulfamoyl)benzoic acid
CID 60715455
3-(hydrazinesulfonyl)-4-methylbenzoic acid
CID 12639642
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449
5-acetyl-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 39357441
4-methyl-3-[(2-methylcyclopentyl)sulfamoyl]benzoic acid
CID 63277680
3-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 106155850
4-methyl-3-(2,2,2-trifluoroethylsulfamoyl)benzoic acid
CID 29043972
4-methyl-3-[(2-methyloxolan-3-yl)sulfamoyl]benzoic acid
CID 82726035
3-cyclopentylsulfonyl-4-methylbenzoic acid
CID 43140797

Frequently Asked Questions

What is the IUPAC name of 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid?
The IUPAC name of 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid (CID 60715494) is 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid.
What is the SMILES notation for 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid?
The canonical SMILES for 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1S(=O)(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid?
The InChIKey is OHWMMIOTZJLSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-9-2-3-12(15(17)18)8-13(9)21(19,20)16-14(10-4-5-10)11-6-7-11/h2-3,8,10-11,14,16H,4-7H2,1H3,(H,17,18).
What are the key properties of 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid?
3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid has a molecular weight of 309.39 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dicyclopropylmethylsulfamoyl)-4-methylbenzoic acid is sourced from PubChem (CID 60715494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).