2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid

C13H17NO4S — CID 114099289

IUPAC2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCC2(C)CC2)cc1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(7-11(9)12(15)16)19(17,18)14-8-13(2)5-6-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyXXRLAXZTGMWOMF-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.77
Rot. Bonds5

About 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid

2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid (PubChem CID 114099289) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
PubChem CID114099289
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid
SMILESCc1ccc(S(=O)(=O)NCC2(C)CC2)cc1C(=O)O
InChIInChI=1S/C13H17NO4S/c1-9-3-4-10(7-11(9)12(15)16)19(17,18)14-8-13(2)5-6-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyXXRLAXZTGMWOMF-UHFFFAOYSA-N
XLogP1.77
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
5-[(3-amino-3-oxopropyl)sulfamoyl]-2-methylbenzoic acid
CID 43553454
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311
5-(cyclohexylmethylsulfamoyl)-2-methylbenzoic acid
CID 43238144
5-[(3-hydroxycyclobutyl)methylsulfamoyl]-2-methylbenzoic acid
CID 66004912
5-[3-(ethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 61403539
5-(2-hydroxybutylsulfamoyl)-2-methylbenzoic acid
CID 113491967
5-(2-carbamoyloxyethylsulfamoyl)-2-methylbenzoic acid
CID 83202818
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
1-[[(3,4-dimethylphenyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450138
5-[2-(dimethylamino)propylsulfamoyl]-2-methylbenzoic acid
CID 60748903
5-(2-methoxypropylsulfamoyl)-2-methylbenzoic acid
CID 102695710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The IUPAC name of 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid (CID 114099289) is 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid is Cc1ccc(S(=O)(=O)NCC2(C)CC2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid?
The InChIKey is XXRLAXZTGMWOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-3-4-10(7-11(9)12(15)16)19(17,18)14-8-13(2)5-6-13/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid?
2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid has a molecular weight of 283.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-methylcyclopropyl)methylsulfamoyl]benzoic acid is sourced from PubChem (CID 114099289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).