2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid

C14H15NO4S2 — CID 62841892

IUPAC2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-3-4-12(7-13(9)14(16)17)21(18,19)15-10(2)11-5-6-20-8-11/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyAZJHMYSZXKSDJX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid

2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid (PubChem CID 62841892) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
PubChem CID62841892
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
SMILESCc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-9-3-4-12(7-13(9)14(16)17)21(18,19)15-10(2)11-5-6-20-8-11/h3-8,10,15H,1-2H3,(H,16,17)
InChIKeyAZJHMYSZXKSDJX-UHFFFAOYSA-N
XLogP2.79
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 55130085
2-methyl-5-(1-methylsulfonylpropan-2-ylsulfamoyl)benzoic acid
CID 64630006
5-(4-hydroxybutan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 83177838
2-methyl-5-(3-methylpentan-2-ylsulfamoyl)benzoic acid
CID 61395216
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid (CID 62841892) is 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid is Cc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid?
The InChIKey is AZJHMYSZXKSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-9-3-4-12(7-13(9)14(16)17)21(18,19)15-10(2)11-5-6-20-8-11/h3-8,10,15H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid?
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid has a molecular weight of 325.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 62841892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).