3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid

C13H13NO5S2 — CID 102748150

IUPAC3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H13NO5S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)14-10-4-2-3-9(5-10)6-15/h2-5,7,14-15H,6H2,1H3,(H,16,17)
InChIKeyWNEFPUWMSSXMGA-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.05
Rot. Bonds5

About 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102748150) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102748150
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Name3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(CO)c1
InChIInChI=1S/C13H13NO5S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)14-10-4-2-3-9(5-10)6-15/h2-5,7,14-15H,6H2,1H3,(H,16,17)
InChIKeyWNEFPUWMSSXMGA-UHFFFAOYSA-N
XLogP2.05
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(hydroxymethyl)phenyl]-2-thiophenesulfonamide
CID 2813980
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
2-Methyl-4-(toluene-4-sulfonylamino)-thiophene-3-carboxylic acid
CID 2809655
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
Methyl 2-methyl-3-[(2-thienylsulfonyl)amino]benzoate
CID 970871
3,5-Bis(thiophene-2-sulfonamido)benzoic acid
CID 4684737
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
Methyl 4-phenyl-3-(phenylsulfamoyl)thiophene-2-carboxylate
CID 16034546
5-[(3-Iodophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314539
5-Phenyl-4-(toluene-2-sulfonylamino)-thiophene-2-carboxylic acid
CID 3008419

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102748150) is 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid is Cc1csc(C(=O)O)c1S(=O)(=O)Nc1cccc(CO)c1.
What is the InChIKey of 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is WNEFPUWMSSXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-8-7-20-11(13(16)17)12(8)21(18,19)14-10-4-2-3-9(5-10)6-15/h2-5,7,14-15H,6H2,1H3,(H,16,17).
What are the key properties of 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102748150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).