2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid

C13H11Cl2NO6S2 — CID 52863495

IUPAC2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)O)c1
InChIInChI=1S/C13H11Cl2NO6S2/c1-21-6-3-7(13(17)18)11(8(4-6)22-2)16-24(19,20)9-5-10(14)23-12(9)15/h3-5,16H,1-2H3,(H,17,18)
InChIKeyXFIDFHPPKRDPIP-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.57
Rot. Bonds6

About 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid

2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid (PubChem CID 52863495) has the molecular formula C13H11Cl2NO6S2 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
PubChem CID52863495
Molecular FormulaC13H11Cl2NO6S2
Molecular Weight412.27 g/mol
Exact Mass410.94
IUPAC Name2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)O)c1
InChIInChI=1S/C13H11Cl2NO6S2/c1-21-6-3-7(13(17)18)11(8(4-6)22-2)16-24(19,20)9-5-10(14)23-12(9)15/h3-5,16H,1-2H3,(H,17,18)
InChIKeyXFIDFHPPKRDPIP-UHFFFAOYSA-N
XLogP3.57
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic 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

2-[(3-chlorophenyl)sulfonylamino]-3,5-dimethoxybenzoic acid
CID 52863453
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 43090882
N-(2-amino-5-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 63258569
4-bromo-2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]benzoic acid
CID 63405367
N-(4-amino-3-methoxyphenyl)-2,5-dichlorothiophene-3-sulfonamide
CID 43604989
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654634
2,5-dichloro-N-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-4,5-dimethylphenyl]thiophene-3-sulfonamide
CID 70138974
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
(2-amino-3,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 115950897
methyl 5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-2,4-difluorobenzoate
CID 31808270
3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 56798482

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The IUPAC name of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid (CID 52863495) is 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The canonical SMILES for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid is COc1cc(OC)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c(C(=O)O)c1.
What is the InChIKey of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid?
The InChIKey is XFIDFHPPKRDPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO6S2/c1-21-6-3-7(13(17)18)11(8(4-6)22-2)16-24(19,20)9-5-10(14)23-12(9)15/h3-5,16H,1-2H3,(H,17,18).
What are the key properties of 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid?
2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid has a molecular weight of 412.27 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 52863495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).