N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide

C11H12N2O4S2 — CID 140565091

IUPACN-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cncs2)cc1OC
InChIInChI=1S/C11H12N2O4S2/c1-16-9-4-3-8(5-10(9)17-2)13-19(14,15)11-6-12-7-18-11/h3-7,13H,1-2H3
InChIKeySZAVWLHGSPPTCG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide

N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 140565091) has the molecular formula C11H12N2O4S2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID140565091
Molecular FormulaC11H12N2O4S2
Molecular Weight300.36 g/mol
Exact Mass300.02
IUPAC NameN-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cncs2)cc1OC
InChIInChI=1S/C11H12N2O4S2/c1-16-9-4-3-8(5-10(9)17-2)13-19(14,15)11-6-12-7-18-11/h3-7,13H,1-2H3
InChIKeySZAVWLHGSPPTCG-UHFFFAOYSA-N
XLogP1.96
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide (CID 140565091) is N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cncs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is SZAVWLHGSPPTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S2/c1-16-9-4-3-8(5-10(9)17-2)13-19(14,15)11-6-12-7-18-11/h3-7,13H,1-2H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 300.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 140565091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).