N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide

C17H14F3N3O3S2 — CID 67283070

IUPACN-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide
SMILESCc1ccc(-c2cnsc2)cc1N(C)S(=O)(=O)c1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S2/c1-11-3-4-12(13-9-22-27-10-13)7-15(11)23(2)28(24,25)14-5-6-21-16(8-14)26-17(18,19)20/h3-10H,1-2H3
InChIKeyABWNQURZSLRSER-UHFFFAOYSA-N
MW429.45 g/mol
LogP4.24
Rot. Bonds5

About N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide

N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide (PubChem CID 67283070) has the molecular formula C17H14F3N3O3S2 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide
PubChem CID67283070
Molecular FormulaC17H14F3N3O3S2
Molecular Weight429.45 g/mol
Exact Mass429.04
IUPAC NameN-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide
SMILESCc1ccc(-c2cnsc2)cc1N(C)S(=O)(=O)c1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O3S2/c1-11-3-4-12(13-9-22-27-10-13)7-15(11)23(2)28(24,25)14-5-6-21-16(8-14)26-17(18,19)20/h3-10H,1-2H3
InChIKeyABWNQURZSLRSER-UHFFFAOYSA-N
XLogP4.24
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide?
The IUPAC name of N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide (CID 67283070) is N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide.
What is the SMILES notation for N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide?
The canonical SMILES for N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide is Cc1ccc(-c2cnsc2)cc1N(C)S(=O)(=O)c1ccnc(OC(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide?
The InChIKey is ABWNQURZSLRSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3S2/c1-11-3-4-12(13-9-22-27-10-13)7-15(11)23(2)28(24,25)14-5-6-21-16(8-14)26-17(18,19)20/h3-10H,1-2H3.
What are the key properties of N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide?
N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide has a molecular weight of 429.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-methyl-5-(1,2-thiazol-4-yl)phenyl]-2-(trifluoromethoxy)pyridine-4-sulfonamide is sourced from PubChem (CID 67283070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).