5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid

C12H11NO5S2 — CID 43229124

IUPAC5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C12H11NO5S2/c14-6-8-2-1-3-10(4-8)13-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,13-14H,6H2,(H,15,16)
InChIKeyIQEGVAPOQNJXLQ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.74
Rot. Bonds5

About 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid

5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43229124) has the molecular formula C12H11NO5S2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43229124
Molecular FormulaC12H11NO5S2
Molecular Weight313.36 g/mol
Exact Mass313.01
IUPAC Name5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2cccc(CO)c2)c1
InChIInChI=1S/C12H11NO5S2/c14-6-8-2-1-3-10(4-8)13-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,13-14H,6H2,(H,15,16)
InChIKeyIQEGVAPOQNJXLQ-UHFFFAOYSA-N
XLogP1.74
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43241380
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 166239536
3-[[3-(hydroxymethyl)phenyl]sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748150
5-cyano-N-[3-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 106272386
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236887
5-[(4-ethoxy-3-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56799233
4-[[3-(hydroxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43712120
5-[(4-ethoxy-3-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 56797689
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid (CID 43229124) is 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2cccc(CO)c2)c1.
What is the InChIKey of 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is IQEGVAPOQNJXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5S2/c14-6-8-2-1-3-10(4-8)13-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,13-14H,6H2,(H,15,16).
What are the key properties of 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid?
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43229124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).