5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C14H15NO5S2 — CID 51115488

IUPAC5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15NO5S2/c1-8-4-5-11(20-3)10(6-8)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyWDUIUMMQNDQDIN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.87
Rot. Bonds5

About 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 51115488) has the molecular formula C14H15NO5S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID51115488
Molecular FormulaC14H15NO5S2
Molecular Weight341.41 g/mol
Exact Mass341.04
IUPAC Name5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCOc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1
InChIInChI=1S/C14H15NO5S2/c1-8-4-5-11(20-3)10(6-8)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-7,15H,1-3H3,(H,16,17)
InChIKeyWDUIUMMQNDQDIN-UHFFFAOYSA-N
XLogP2.87
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-bromo-6-methoxy-3-pyridinyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 71847214
(2-methoxy-5-methylphenyl)sulfamic acid
CID 11844868
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
5-[(2,4-difluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311182
5-(aminomethyl)-N-(2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 43155714
5-[(2-bromo-5-fluorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 103752852
5-[(2-bromo-5-chlorophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 81269683
N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 51115488) is 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is COc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)O)s1.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is WDUIUMMQNDQDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S2/c1-8-4-5-11(20-3)10(6-8)15-22(18,19)12-7-9(2)13(21-12)14(16)17/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 51115488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).