3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

C14H15NO7S2 — CID 17426161

IUPAC3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCOc1cc(C(=O)O)c(NS(=O)(=O)c2cccs2)c(OC)c1OC
InChIInChI=1S/C14H15NO7S2/c1-20-9-7-8(14(16)17)11(13(22-3)12(9)21-2)15-24(18,19)10-5-4-6-23-10/h4-7,15H,1-3H3,(H,16,17)
InChIKeyDNJUKHZLOKBIDP-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.27
Rot. Bonds7

About 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid

3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 17426161) has the molecular formula C14H15NO7S2 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID17426161
Molecular FormulaC14H15NO7S2
Molecular Weight373.41 g/mol
Exact Mass373.03
IUPAC Name3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid
SMILESCOc1cc(C(=O)O)c(NS(=O)(=O)c2cccs2)c(OC)c1OC
InChIInChI=1S/C14H15NO7S2/c1-20-9-7-8(14(16)17)11(13(22-3)12(9)21-2)15-24(18,19)10-5-4-6-23-10/h4-7,15H,1-3H3,(H,16,17)
InChIKeyDNJUKHZLOKBIDP-UHFFFAOYSA-N
XLogP2.27
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,4,5-trimethoxy-2-[(3-methoxycarbonylphenyl)sulfonylamino]benzoic acid
CID 31703151
2-[(4-carbamoylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 45307853
2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 35532742
2-[(4-hydroxy-3-methoxycarbonylphenyl)sulfonylamino]-3,4,5-trimethoxybenzoic acid
CID 55894761
3,4,5-trimethoxy-N'-thiophen-2-ylsulfonylbenzohydrazide
CID 8523641
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
2-methyl-4-(thiophen-2-ylsulfonylamino)benzoic acid
CID 56828335
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
2-(carbamothioylamino)-3,4,5-trimethoxybenzoic acid
CID 169356258
(2S)-3-phenyl-2-(thiophen-2-ylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 92502327
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
N-(2-methoxy-3,5-dimethylphenyl)thiophene-2-sulfonamide
CID 110777538

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid (CID 17426161) is 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is COc1cc(C(=O)O)c(NS(=O)(=O)c2cccs2)c(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is DNJUKHZLOKBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO7S2/c1-20-9-7-8(14(16)17)11(13(22-3)12(9)21-2)15-24(18,19)10-5-4-6-23-10/h4-7,15H,1-3H3,(H,16,17).
What are the key properties of 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid?
3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 373.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-2-(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 17426161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).