3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid

C14H13NO6S2 — CID 19349749

IUPAC3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2sc(C(=O)O)c(C)c2C(=O)O)cc1
InChIInChI=1S/C14H13NO6S2/c1-7-3-5-9(6-4-7)23(20,21)15-12-10(13(16)17)8(2)11(22-12)14(18)19/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyRMOGRNLJJZPOMZ-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.56
Rot. Bonds5

About 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid

3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid (PubChem CID 19349749) has the molecular formula C14H13NO6S2 and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
PubChem CID19349749
Molecular FormulaC14H13NO6S2
Molecular Weight355.39 g/mol
Exact Mass355.02
IUPAC Name3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2sc(C(=O)O)c(C)c2C(=O)O)cc1
InChIInChI=1S/C14H13NO6S2/c1-7-3-5-9(6-4-7)23(20,21)15-12-10(13(16)17)8(2)11(22-12)14(18)19/h3-6,15H,1-2H3,(H,16,17)(H,18,19)
InChIKeyRMOGRNLJJZPOMZ-UHFFFAOYSA-N
XLogP2.56
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[(4-methylphenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxycarbonyl]thiophene-2-carboxylic acid
CID 54423033
3-methyl-5-[(4-methylphenyl)sulfonylamino]-1,2-thiazole-4-carboxylic acid
CID 60868846
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
2-(benzenesulfonamido)-4-methyl-5-phenylthiophene-3-carboxylic acid
CID 56961285
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylic acid
CID 16778282
2-[(4-methylphenyl)sulfonylamino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 101150458
methyl 4-ethyl-5-methyl-2-[(4-methylphenyl)sulfonylamino]thiophene-3-carboxylate
CID 71654905
2-[(4-methylphenyl)sulfonylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
CID 1220084
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
ethyl 5-(benzenesulfonamido)-3-methyl-4-(phenylcarbamoyl)thiophene-2-carboxylate
CID 126063687
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 709425

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid?
The IUPAC name of 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid (CID 19349749) is 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid is Cc1ccc(S(=O)(=O)Nc2sc(C(=O)O)c(C)c2C(=O)O)cc1.
What is the InChIKey of 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid?
The InChIKey is RMOGRNLJJZPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO6S2/c1-7-3-5-9(6-4-7)23(20,21)15-12-10(13(16)17)8(2)11(22-12)14(18)19/h3-6,15H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid?
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid has a molecular weight of 355.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2,4-dicarboxylic acid is sourced from PubChem (CID 19349749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).