N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide

C13H14F3N3O2S — CID 141138062

IUPACN,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
SMILESCc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O2S/c1-9-12(8-19(17-9)22(20,21)18(2)3)10-5-4-6-11(7-10)13(14,15)16/h4-8H,1-3H3
InChIKeyZYKMQVXZBIPBRV-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.53
Rot. Bonds3

About N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide

N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide (PubChem CID 141138062) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide.

Molecular Properties

Compound NameN,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
PubChem CID141138062
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC NameN,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
SMILESCc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H14F3N3O2S/c1-9-12(8-19(17-9)22(20,21)18(2)3)10-5-4-6-11(7-10)13(14,15)16/h4-8H,1-3H3
InChIKeyZYKMQVXZBIPBRV-UHFFFAOYSA-N
XLogP2.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-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

2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
2-methyl-4-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133091916
3-methyl-4-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 10682335
N,N-dimethyl-3-[3-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidine-1-sulfonamide
CID 110255003
3-(4-methylsulfonylphenyl)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine
CID 122193258
N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
CID 20595893
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
2-methyl-8-[3-(trifluoromethyl)phenyl]quinoline
CID 67134010
2-(1-ethyl-3-methylpyrazol-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 4777457
3-(3,4-dimethylphenyl)-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
CID 12879369
4-methyl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 69406899

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide?
The IUPAC name of N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide (CID 141138062) is N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide.
What is the SMILES notation for N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide?
The canonical SMILES for N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide is Cc1nn(S(=O)(=O)N(C)C)cc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide?
The InChIKey is ZYKMQVXZBIPBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c1-9-12(8-19(17-9)22(20,21)18(2)3)10-5-4-6-11(7-10)13(14,15)16/h4-8H,1-3H3.
What are the key properties of N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide?
N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide has a molecular weight of 333.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide is sourced from PubChem (CID 141138062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).