3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

C11H12F2N4O2S — CID 63795143

IUPAC3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cc(F)ccc2F)c(N)n1
InChIInChI=1S/C11H12F2N4O2S/c1-17-6-10(11(14)16-17)20(18,19)15-5-7-4-8(12)2-3-9(7)13/h2-4,6,15H,5H2,1H3,(H2,14,16)
InChIKeyPZXJQEYKFUAIHE-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.76
Rot. Bonds4

About 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 63795143) has the molecular formula C11H12F2N4O2S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
PubChem CID63795143
Molecular FormulaC11H12F2N4O2S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cc(F)ccc2F)c(N)n1
InChIInChI=1S/C11H12F2N4O2S/c1-17-6-10(11(14)16-17)20(18,19)15-5-7-4-8(12)2-3-9(7)13/h2-4,6,15H,5H2,1H3,(H2,14,16)
InChIKeyPZXJQEYKFUAIHE-UHFFFAOYSA-N
XLogP0.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 60808925
N-[(2,5-difluorophenyl)methyl]-2-nitrobenzenesulfonamide
CID 3768703
N-[(2,5-difluorophenyl)methyl]-1-methyl-4-nitropyrazol-3-amine
CID 103079923
3-amino-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 106259655
2,5-difluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 22207747
3-amino-N-(2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60813860
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
3-amino-N-(4-bromo-2-fluorophenyl)-1-methylpyrazole-4-sulfonamide
CID 60810406
3-amino-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808628
4-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110780979
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
3-amino-1-methyl-N-(2-methylprop-2-enyl)pyrazole-4-sulfonamide
CID 114615063

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide (CID 63795143) is 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cc(F)ccc2F)c(N)n1.
What is the InChIKey of 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is PZXJQEYKFUAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O2S/c1-17-6-10(11(14)16-17)20(18,19)15-5-7-4-8(12)2-3-9(7)13/h2-4,6,15H,5H2,1H3,(H2,14,16).
What are the key properties of 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 302.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,5-difluorophenyl)methyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 63795143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).