4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

C14H16N2O4S2 — CID 21499400

IUPAC4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
SMILESCCc1cc(NCc2cccs2)c(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O4S2/c1-2-9-6-12(16-8-10-4-3-5-21-10)11(14(17)18)7-13(9)22(15,19)20/h3-7,16H,2,8H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyVZEUFFOSYOWDNK-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.27
Rot. Bonds6

About 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid

4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid (PubChem CID 21499400) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
PubChem CID21499400
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
SMILESCCc1cc(NCc2cccs2)c(C(=O)O)cc1S(N)(=O)=O
InChIInChI=1S/C14H16N2O4S2/c1-2-9-6-12(16-8-10-4-3-5-21-10)11(14(17)18)7-13(9)22(15,19)20/h3-7,16H,2,8H2,1H3,(H,17,18)(H2,15,19,20)
InChIKeyVZEUFFOSYOWDNK-UHFFFAOYSA-N
XLogP2.27
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 67131835
5-sulfamoyl-2-(2-thiophen-2-ylethylamino)benzoic acid
CID 43322707
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 79466591
2-[(4-propan-2-ylthiophen-2-yl)methylamino]-5-sulfamoylbenzoic acid
CID 54552550
CID 68522905
CID 68522905
2-methyl-5-(1-methyltetrazol-5-yl)-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 91484404
2-ethyl-4-(2-thiophen-2-ylethylsulfonylamino)benzoic acid
CID 166283115
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
N-(4-methyl-3-sulfamoylphenyl)-2-thiophen-2-ylacetamide
CID 9140832
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-[(2-methoxyphenyl)methylamino]-4-phenoxy-5-sulfamoylbenzoic acid
CID 21487306

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The IUPAC name of 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid (CID 21499400) is 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The canonical SMILES for 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid is CCc1cc(NCc2cccs2)c(C(=O)O)cc1S(N)(=O)=O.
What is the InChIKey of 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
The InChIKey is VZEUFFOSYOWDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-2-9-6-12(16-8-10-4-3-5-21-10)11(14(17)18)7-13(9)22(15,19)20/h3-7,16H,2,8H2,1H3,(H,17,18)(H2,15,19,20).
What are the key properties of 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid?
4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid has a molecular weight of 340.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 21499400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).