4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

C15H12N2O5S3 — CID 4965787

IUPAC4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H12N2O5S3/c1-22-11-5-4-9(14(18)19)7-13(11)25(20,21)17-15-16-10(8-24-15)12-3-2-6-23-12/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyUEYRRFCWIIDYOL-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.38
Rot. Bonds6

About 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid

4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (PubChem CID 4965787) has the molecular formula C15H12N2O5S3 and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
PubChem CID4965787
Molecular FormulaC15H12N2O5S3
Molecular Weight396.47 g/mol
Exact Mass395.99
IUPAC Name4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C15H12N2O5S3/c1-22-11-5-4-9(14(18)19)7-13(11)25(20,21)17-15-16-10(8-24-15)12-3-2-6-23-12/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKeyUEYRRFCWIIDYOL-UHFFFAOYSA-N
XLogP3.38
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-methoxy-4-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 102694633
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55363538
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
methyl 4-fluoro-3-[(4-phenyl-1,3-thiazol-2-yl)sulfamoyl]benzoate
CID 95038335
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 29176160
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
2-[2-[(2,5-dimethoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
CID 87546100
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid (CID 4965787) is 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
The InChIKey is UEYRRFCWIIDYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S3/c1-22-11-5-4-9(14(18)19)7-13(11)25(20,21)17-15-16-10(8-24-15)12-3-2-6-23-12/h2-8H,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid?
4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid has a molecular weight of 396.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 4965787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).