N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

C12H13F3N4O2S — CID 167942029

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCN(Cc1ccnn1C)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4O2S/c1-18(8-10-5-6-17-19(10)2)22(20,21)11-4-3-9(7-16-11)12(13,14)15/h3-7H,8H2,1-2H3
InChIKeyYWNIKQCXDDVXMX-UHFFFAOYSA-N
MW334.32 g/mol
LogP1.65
Rot. Bonds4

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 167942029) has the molecular formula C12H13F3N4O2S and a molecular weight of 334.32 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID167942029
Molecular FormulaC12H13F3N4O2S
Molecular Weight334.32 g/mol
Exact Mass334.07
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCN(Cc1ccnn1C)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H13F3N4O2S/c1-18(8-10-5-6-17-19(10)2)22(20,21)11-4-3-9(7-16-11)12(13,14)15/h3-7H,8H2,1-2H3
InChIKeyYWNIKQCXDDVXMX-UHFFFAOYSA-N
XLogP1.65
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide (CID 167942029) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is CN(Cc1ccnn1C)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is YWNIKQCXDDVXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2S/c1-18(8-10-5-6-17-19(10)2)22(20,21)11-4-3-9(7-16-11)12(13,14)15/h3-7H,8H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 334.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 167942029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).