N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide

C11H11F2N3O2S — CID 102692091

IUPACN-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H11F2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)10(13)6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKIPAHTIRQBTFHF-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.51
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide

N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102692091) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102692091
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC NameN-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H11F2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)10(13)6-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyKIPAHTIRQBTFHF-UHFFFAOYSA-N
XLogP1.51
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-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-[(2,4-difluorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 24241677
1-(3,4-difluorophenyl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45171384
1-[(4-fluorophenyl)sulfonyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 45250431
2,4,5-trifluoro-N-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 53611523
2,5-difluoro-N-[2-fluoro-3-(2H-pyrazol-3-yl)-phenyl]-N-methoxymethyl-benzene-sulfonamide
CID 66729606
5-(4-Fluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 141153499
N-[2,4-difluoro-3-(1H-pyrazol-5-yl)phenyl]-2,5-difluorobenzenesulfonamide
CID 141365948
3-fluoro-4-(1H-pyrazol-5-yl)benzenesulfonamide
CID 142775074
N,N-dibenzyl-4-fluoro-1H-pyrazole-5-sulfonamide
CID 146570572
N-[[2,6-difluoro-4-(2-phenylethynyl)phenyl]methyl]-1H-pyrazole-5-sulfonamide
CID 156068544
[3-[2-fluoro-3-(1H-pyrazol-5-ylsulfonyl)prop-1-enyl]phenyl]methanamine
CID 174313094
5-[2-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174327215

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102692091) is N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is KIPAHTIRQBTFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)10(13)6-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).