2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide

C10H13FN2O3S — CID 894233

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyHOYVOKXNVNWWHM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.19
Rot. Bonds4

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

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (PubChem CID 894233) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
PubChem CID894233
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyHOYVOKXNVNWWHM-UHFFFAOYSA-N
XLogP0.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.19
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-methylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide (CID 894233) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
The InChIKey is HOYVOKXNVNWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-12-10(14)7-13(2)17(15,16)9-5-3-8(11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide has a molecular weight of 260.29 g/mol, XLogP of 0.19, 4 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-methylacetamide is sourced from PubChem (CID 894233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).