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

C11H12F2N4O2S — CID 61113484

IUPAC5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H12F2N4O2S/c1-17(6-7-2-3-8(12)9(13)4-7)20(18,19)10-5-15-16-11(10)14/h2-5H,6H2,1H3,(H3,14,15,16)
InChIKeyLZTMRAPAFLLANE-UHFFFAOYSA-N
MW302.31 g/mol
LogP1.09
Rot. Bonds4

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

5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61113484) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61113484
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C11H12F2N4O2S/c1-17(6-7-2-3-8(12)9(13)4-7)20(18,19)10-5-15-16-11(10)14/h2-5H,6H2,1H3,(H3,14,15,16)
InChIKeyLZTMRAPAFLLANE-UHFFFAOYSA-N
XLogP1.09
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
5-amino-N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61111809
5-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61127334
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
5-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 61113670
N-[(3-aminophenyl)methyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54929716
2,6-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679077
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 60986465
5-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 63693578
5-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 112656604
5-amino-N-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60808130
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679084

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide (CID 61113484) is 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is CN(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LZTMRAPAFLLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-17(6-7-2-3-8(12)9(13)4-7)20(18,19)10-5-15-16-11(10)14/h2-5H,6H2,1H3,(H3,14,15,16).
What are the key properties of 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 302.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61113484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).