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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
N,3,5-trimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 35527395
3,4-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 35521053
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
2-[(1-methylpyrazol-3-yl)methylsulfonyl]-5-(trifluoromethyl)pyridine
CID 167877569
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
N-methyl-N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]methanesulfonamide
CID 171702378
N,N-diethyl-3-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]pyrazole-1-carboxamide
CID 19932209
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetonitrile
CID 2820801
N-methyl-N-[2-[4-[5-(trifluoromethyl)-2-pyridinyl]triazol-1-yl]ethyl]methanesulfonamide
CID 167971944
4-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 22771461

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).