3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C22H19N3O4S2 — CID 108784254

IUPAC3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1OC
InChIInChI=1S/C22H19N3O4S2/c1-28-20-9-8-18(12-21(20)29-2)31(26,27)25-17-7-3-5-15(11-17)19-14-30-22(24-19)16-6-4-10-23-13-16/h3-14,25H,1-2H3
InChIKeyXMEXEJNCTZGMOW-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.69
Rot. Bonds7

About 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 108784254) has the molecular formula C22H19N3O4S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID108784254
Molecular FormulaC22H19N3O4S2
Molecular Weight453.55 g/mol
Exact Mass453.08
IUPAC Name3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1OC
InChIInChI=1S/C22H19N3O4S2/c1-28-20-9-8-18(12-21(20)29-2)31(26,27)25-17-7-3-5-15(11-17)19-14-30-22(24-19)16-6-4-10-23-13-16/h3-14,25H,1-2H3
InChIKeyXMEXEJNCTZGMOW-UHFFFAOYSA-N
XLogP4.69
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 108784254) is 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4cccnc4)n3)c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is XMEXEJNCTZGMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4S2/c1-28-20-9-8-18(12-21(20)29-2)31(26,27)25-17-7-3-5-15(11-17)19-14-30-22(24-19)16-6-4-10-23-13-16/h3-14,25H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 453.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 108784254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).