2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

C15H19FN4O3S — CID 31846301

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O3S/c1-18(9-12-8-17-19(2)10-12)15(21)11-20(3)24(22,23)14-6-4-13(16)5-7-14/h4-8,10H,9,11H2,1-3H3
InChIKeyCIGCRBUUYBIXLW-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.84
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (PubChem CID 31846301) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
PubChem CID31846301
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
SMILESCN(Cc1cnn(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN4O3S/c1-18(9-12-8-17-19(2)10-12)15(21)11-20(3)24(22,23)14-6-4-13(16)5-7-14/h4-8,10H,9,11H2,1-3H3
InChIKeyCIGCRBUUYBIXLW-UHFFFAOYSA-N
XLogP0.84
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide (CID 31846301) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is CN(Cc1cnn(C)c1)C(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
The InChIKey is CIGCRBUUYBIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-18(9-12-8-17-19(2)10-12)15(21)11-20(3)24(22,23)14-6-4-13(16)5-7-14/h4-8,10H,9,11H2,1-3H3.
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 31846301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).