5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid

C12H10N2O5S2 — CID 43241380

IUPAC5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C12H10N2O5S2/c13-11(15)7-2-1-3-9(4-7)14-21(18,19)10-5-8(6-20-10)12(16)17/h1-6,14H,(H2,13,15)(H,16,17)
InChIKeyUPWMQTJFQFEFAO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.35
Rot. Bonds5

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

5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 43241380) has the molecular formula C12H10N2O5S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID43241380
Molecular FormulaC12H10N2O5S2
Molecular Weight326.36 g/mol
Exact Mass326.00
IUPAC Name5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESNC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C12H10N2O5S2/c13-11(15)7-2-1-3-9(4-7)14-21(18,19)10-5-8(6-20-10)12(16)17/h1-6,14H,(H2,13,15)(H,16,17)
InChIKeyUPWMQTJFQFEFAO-UHFFFAOYSA-N
XLogP1.35
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 166239536
5-[[3-(hydroxymethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43229124
3-[(5-bromothiophen-2-yl)sulfonylamino]benzamide
CID 18084682
5-[(3-propoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 39843156
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
5-[(3-chloro-4-cyanophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 43236887
3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 103798260
3-(sulfamoylamino)benzamide
CID 57051238
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
4-[(4-bromothiophen-2-yl)sulfonylamino]benzamide
CID 110678469
3-[(2-methylphenyl)sulfonylamino]benzamide
CID 63000187

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 43241380) is 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid is NC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)O)cs2)c1.
What is the InChIKey of 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is UPWMQTJFQFEFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5S2/c13-11(15)7-2-1-3-9(4-7)14-21(18,19)10-5-8(6-20-10)12(16)17/h1-6,14H,(H2,13,15)(H,16,17).
What are the key properties of 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 326.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoylphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 43241380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).