N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide

C12H15FN2O3S — CID 975127

IUPACN-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16)
InChIKeyRJXVBVVVRIXAEV-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.72
Rot. Bonds5

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

N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 975127) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
PubChem CID975127
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC NameN-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H15FN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16)
InChIKeyRJXVBVVVRIXAEV-UHFFFAOYSA-N
XLogP0.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide (CID 975127) is N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is RJXVBVVVRIXAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-15(8-12(16)14-10-4-5-10)19(17,18)11-6-2-9(13)3-7-11/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 286.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 975127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).