4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid

C16H15N5O5S2 — CID 55603694

IUPAC4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2nnnc2SC)c1
InChIInChI=1S/C16H15N5O5S2/c1-26-13-7-6-10(15(22)23)8-14(13)28(24,25)18-11-4-3-5-12(9-11)21-16(27-2)17-19-20-21/h3-9,18H,1-2H3,(H,22,23)
InChIKeyOAANBTPNUARWQS-UHFFFAOYSA-N
MW421.46 g/mol
LogP1.89
Rot. Bonds7

About 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid

4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid (PubChem CID 55603694) has the molecular formula C16H15N5O5S2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
PubChem CID55603694
Molecular FormulaC16H15N5O5S2
Molecular Weight421.46 g/mol
Exact Mass421.05
IUPAC Name4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2nnnc2SC)c1
InChIInChI=1S/C16H15N5O5S2/c1-26-13-7-6-10(15(22)23)8-14(13)28(24,25)18-11-4-3-5-12(9-11)21-16(27-2)17-19-20-21/h3-9,18H,1-2H3,(H,22,23)
InChIKeyOAANBTPNUARWQS-UHFFFAOYSA-N
XLogP1.89
TPSA136.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]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

2,5-difluoro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 38771727
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
4-methoxy-3-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]sulfamoyl]benzoic acid
CID 45472779
4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
CID 24656737
3-methoxy-4-(phenylsulfamoyl)benzoic acid
CID 102694630
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
4-methoxy-3-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571542
3-chloro-4-methyl-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-5-nitrobenzenesulfonamide
CID 38892727

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid (CID 55603694) is 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(-n2nnnc2SC)c1.
What is the InChIKey of 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
The InChIKey is OAANBTPNUARWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O5S2/c1-26-13-7-6-10(15(22)23)8-14(13)28(24,25)18-11-4-3-5-12(9-11)21-16(27-2)17-19-20-21/h3-9,18H,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid?
4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid has a molecular weight of 421.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[3-(5-methylsulfanyltetrazol-1-yl)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 55603694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).