4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C18H19N3O4S2 — CID 70701401

IUPAC4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC
InChIInChI=1S/C18H19N3O4S2/c1-24-16-5-3-4-13(17(16)25-2)12-20-14-6-8-15(9-7-14)27(22,23)21-18-19-10-11-26-18/h3-11,20H,12H2,1-2H3,(H,19,21)
InChIKeyRTQNZXRQQMQOOF-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.57
Rot. Bonds8

About 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 70701401) has the molecular formula C18H19N3O4S2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID70701401
Molecular FormulaC18H19N3O4S2
Molecular Weight405.50 g/mol
Exact Mass405.08
IUPAC Name4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC
InChIInChI=1S/C18H19N3O4S2/c1-24-16-5-3-4-13(17(16)25-2)12-20-14-6-8-15(9-7-14)27(22,23)21-18-19-10-11-26-18/h3-11,20H,12H2,1-2H3,(H,19,21)
InChIKeyRTQNZXRQQMQOOF-UHFFFAOYSA-N
XLogP3.57
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 70701401) is 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1OC.
What is the InChIKey of 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is RTQNZXRQQMQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S2/c1-24-16-5-3-4-13(17(16)25-2)12-20-14-6-8-15(9-7-14)27(22,23)21-18-19-10-11-26-18/h3-11,20H,12H2,1-2H3,(H,19,21).
What are the key properties of 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 405.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethoxyphenyl)methylamino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 70701401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).