3-(ethylsulfamoylamino)thiophene-2-carboxylic acid

C7H10N2O4S2 — CID 114805301

IUPAC3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
SMILESCCNS(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C7H10N2O4S2/c1-2-8-15(12,13)9-5-3-4-14-6(5)7(10)11/h3-4,8-9H,2H2,1H3,(H,10,11)
InChIKeyRFHMNFBYMDEMDB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds5

About 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid

3-(ethylsulfamoylamino)thiophene-2-carboxylic acid (PubChem CID 114805301) has the molecular formula C7H10N2O4S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
PubChem CID114805301
Molecular FormulaC7H10N2O4S2
Molecular Weight250.30 g/mol
Exact Mass250.01
IUPAC Name3-(ethylsulfamoylamino)thiophene-2-carboxylic acid
SMILESCCNS(=O)(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C7H10N2O4S2/c1-2-8-15(12,13)9-5-3-4-14-6(5)7(10)11/h3-4,8-9H,2H2,1H3,(H,10,11)
InChIKeyRFHMNFBYMDEMDB-UHFFFAOYSA-N
XLogP0.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(propylsulfamoylamino)thiophene-2-carboxylate
CID 114811453
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
5-bromo-2-(ethylsulfamoylamino)benzoic acid
CID 114805892
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
2-(ethylsulfamoylamino)-4,5-difluorobenzoic acid
CID 114805982
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015
3-(pyridin-3-ylsulfonylamino)thiophene-2-carboxylic acid
CID 43443006
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443028

Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid (CID 114805301) is 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid is CCNS(=O)(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid?
The InChIKey is RFHMNFBYMDEMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S2/c1-2-8-15(12,13)9-5-3-4-14-6(5)7(10)11/h3-4,8-9H,2H2,1H3,(H,10,11).
What are the key properties of 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid?
3-(ethylsulfamoylamino)thiophene-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfamoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 114805301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).