4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C17H17N3O3S2 — CID 75403048

IUPAC4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-13(23-3)9-12(2)16(11)25(21,22)20-17-19-15(10-24-17)14-6-4-5-7-18-14/h4-10H,1-3H3,(H,19,20)
InChIKeyFTJPALUJPDWRJD-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.63
Rot. Bonds5

About 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 75403048) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID75403048
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1
InChIInChI=1S/C17H17N3O3S2/c1-11-8-13(23-3)9-12(2)16(11)25(21,22)20-17-19-15(10-24-17)14-6-4-5-7-18-14/h4-10H,1-3H3,(H,19,20)
InChIKeyFTJPALUJPDWRJD-UHFFFAOYSA-N
XLogP3.63
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2,6-dimethyl-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110317993
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 108783481
4-[(4-methoxyphenyl)methylsulfonyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 160741102
6-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 33076097
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
7-methoxy-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 78828928
[3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl] 3,4-dimethylbenzenesulfonate
CID 110504056
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 4011297
4-[(4-methoxyphenyl)-methylsulfamoyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 46912779
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 75403048) is 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is FTJPALUJPDWRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-11-8-13(23-3)9-12(2)16(11)25(21,22)20-17-19-15(10-24-17)14-6-4-5-7-18-14/h4-10H,1-3H3,(H,19,20).
What are the key properties of 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 75403048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).