5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C14H15NO4S2 — CID 43311185

IUPAC5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO4S2/c1-8-4-9(2)6-11(5-8)15-21(18,19)12-7-10(3)13(20-12)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyBVNAFKKGRRJXGG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.17
Rot. Bonds4

About 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43311185) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43311185
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO4S2/c1-8-4-9(2)6-11(5-8)15-21(18,19)12-7-10(3)13(20-12)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyBVNAFKKGRRJXGG-UHFFFAOYSA-N
XLogP3.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112826032
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
3-methyl-5-(propan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43314392
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 51115488

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43311185) is 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is Cc1cc(C)cc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1.
What is the InChIKey of 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is BVNAFKKGRRJXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-8-4-9(2)6-11(5-8)15-21(18,19)12-7-10(3)13(20-12)14(16)17/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43311185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).