5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid

C13H14N2O4S2 — CID 43322707

IUPAC5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
SMILESNS(=O)(=O)c1ccc(NCCc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O4S2/c14-21(18,19)10-3-4-12(11(8-10)13(16)17)15-6-5-9-2-1-7-20-9/h1-4,7-8,15H,5-6H2,(H,16,17)(H2,14,18,19)
InChIKeyMRRUTAGLRLGYHA-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.75
Rot. Bonds6

About 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid

5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid (PubChem CID 43322707) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid.

Molecular Properties

Compound Name5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
PubChem CID43322707
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
SMILESNS(=O)(=O)c1ccc(NCCc2cccs2)c(C(=O)O)c1
InChIInChI=1S/C13H14N2O4S2/c14-21(18,19)10-3-4-12(11(8-10)13(16)17)15-6-5-9-2-1-7-20-9/h1-4,7-8,15H,5-6H2,(H,16,17)(H2,14,18,19)
InChIKeyMRRUTAGLRLGYHA-UHFFFAOYSA-N
XLogP1.75
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxypropylamino)-5-sulfamoylbenzoic acid
CID 43235564
5-nitro-2-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 71944701
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 67131835
2-methyl-5-(2-thiophen-2-ylethylsulfonyl)benzoic acid
CID 63774959
2-[(4-butylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54072413
2-[(4-propan-2-ylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54552550
4-[1-(2-thiophen-2-ylethylamino)ethyl]benzenesulfonamide
CID 43763574
2-[(3-hydroxy-4-methoxybutyl)amino]-5-sulfamoylbenzoic acid
CID 106247934
4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 21499400
3-amino-4-(2-thiophen-2-ylethylamino)benzamide
CID 43382673
5-amino-2-[(2-thiophen-2-ylacetyl)amino]benzoic acid
CID 63115689

Frequently Asked Questions

What is the IUPAC name of 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid?
The IUPAC name of 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid (CID 43322707) is 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid.
What is the SMILES notation for 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid?
The canonical SMILES for 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid is NS(=O)(=O)c1ccc(NCCc2cccs2)c(C(=O)O)c1.
What is the InChIKey of 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid?
The InChIKey is MRRUTAGLRLGYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-21(18,19)10-3-4-12(11(8-10)13(16)17)15-6-5-9-2-1-7-20-9/h1-4,7-8,15H,5-6H2,(H,16,17)(H2,14,18,19).
What are the key properties of 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid?
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid has a molecular weight of 326.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid is sourced from PubChem (CID 43322707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).