2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid

C12H12N2O4S2 — CID 115284600

IUPAC2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
SMILESNS(=O)(=O)c1ccc(NC(C(=O)O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O4S2/c13-20(17,18)9-5-3-8(4-6-9)14-11(12(15)16)10-2-1-7-19-10/h1-7,11,14H,(H,15,16)(H2,13,17,18)
InChIKeyDLLLPUUKFNCZCZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid

2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid (PubChem CID 115284600) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
PubChem CID115284600
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid
SMILESNS(=O)(=O)c1ccc(NC(C(=O)O)c2cccs2)cc1
InChIInChI=1S/C12H12N2O4S2/c13-20(17,18)9-5-3-8(4-6-9)14-11(12(15)16)10-2-1-7-19-10/h1-7,11,14H,(H,15,16)(H2,13,17,18)
InChIKeyDLLLPUUKFNCZCZ-UHFFFAOYSA-N
XLogP1.63
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-carbamoyl-3-methylanilino)-2-thiophen-2-ylacetic acid
CID 115284419
1-methyl-3-(4-sulfamoylphenyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 40881689
2-(methanesulfonamido)-2-thiophen-2-ylacetic acid
CID 79018787
N-[(1S)-2-oxo-1-(4-sulfamoylanilino)-2-thiophen-2-ylethyl]benzamide
CID 7470378
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
4-(1-thiophen-2-ylpropan-2-ylamino)benzenesulfonamide
CID 63292300
2-(3-fluoro-5-methylanilino)-2-thiophen-2-ylacetic acid
CID 79050291
4-(thiophen-2-ylamino)benzenesulfonamide
CID 69315569
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
3-bromo-4-(1-thiophen-2-ylethylamino)benzenesulfonamide
CID 43745716

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid (CID 115284600) is 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid is NS(=O)(=O)c1ccc(NC(C(=O)O)c2cccs2)cc1.
What is the InChIKey of 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid?
The InChIKey is DLLLPUUKFNCZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c13-20(17,18)9-5-3-8(4-6-9)14-11(12(15)16)10-2-1-7-19-10/h1-7,11,14H,(H,15,16)(H2,13,17,18).
What are the key properties of 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid?
2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid has a molecular weight of 312.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylanilino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115284600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).