2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

C12H17FN2O3S — CID 2430772

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyPVSHSIGUJMRIEU-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.97
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 2430772) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
PubChem CID2430772
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H17FN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKeyPVSHSIGUJMRIEU-UHFFFAOYSA-N
XLogP0.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide (CID 2430772) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is PVSHSIGUJMRIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-9(2)14-12(16)8-15(3)19(17,18)11-6-4-10(13)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 288.34 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 2430772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).