N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide

C14H13F3N2O4S — CID 39982889

IUPACN-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O4S/c1-19(12-7-4-8-13(18-12)22-2)24(20,21)11-6-3-5-10(9-11)23-14(15,16)17/h3-9H,1-2H3
InChIKeyQVTUHSNQTYWLRW-UHFFFAOYSA-N
MW362.33 g/mol
LogP2.81
Rot. Bonds5

About N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide

N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 39982889) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID39982889
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC NameN-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1
InChIInChI=1S/C14H13F3N2O4S/c1-19(12-7-4-8-13(18-12)22-2)24(20,21)11-6-3-5-10(9-11)23-14(15,16)17/h3-9H,1-2H3
InChIKeyQVTUHSNQTYWLRW-UHFFFAOYSA-N
XLogP2.81
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide (CID 39982889) is N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide is COc1cccc(N(C)S(=O)(=O)c2cccc(OC(F)(F)F)c2)n1.
What is the InChIKey of N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QVTUHSNQTYWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c1-19(12-7-4-8-13(18-12)22-2)24(20,21)11-6-3-5-10(9-11)23-14(15,16)17/h3-9H,1-2H3.
What are the key properties of N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 39982889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).