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

C11H11ClN2O4S2 — CID 43427472

IUPAC2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC
InChIInChI=1S/C11H11ClN2O4S2/c1-17-8-4-3-7(5-9(8)18-2)14-20(15,16)10-6-13-11(12)19-10/h3-6,14H,1-2H3
InChIKeyFXVZVWFJOMNLHB-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.61
Rot. Bonds5

About 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide

2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide (PubChem CID 43427472) has the molecular formula C11H11ClN2O4S2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
PubChem CID43427472
Molecular FormulaC11H11ClN2O4S2
Molecular Weight334.81 g/mol
Exact Mass333.98
IUPAC Name2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC
InChIInChI=1S/C11H11ClN2O4S2/c1-17-8-4-3-7(5-9(8)18-2)14-20(15,16)10-6-13-11(12)19-10/h3-6,14H,1-2H3
InChIKeyFXVZVWFJOMNLHB-UHFFFAOYSA-N
XLogP2.61
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide (CID 43427472) is 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cnc(Cl)s2)cc1OC.
What is the InChIKey of 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is FXVZVWFJOMNLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4S2/c1-17-8-4-3-7(5-9(8)18-2)14-20(15,16)10-6-13-11(12)19-10/h3-6,14H,1-2H3.
What are the key properties of 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide?
2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 334.81 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethoxyphenyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).