2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H14ClFN2O3S — CID 39982773

IUPAC2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-5-2-8(14)6-10(11)13/h2,5-6,9H,3-4,7H2,1H3,(H,15,17)
InChIKeyRJVRWVWPKWDQAI-UHFFFAOYSA-N
MW320.77 g/mol
LogP1.38
Rot. Bonds5

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

2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 39982773) has the molecular formula C12H14ClFN2O3S and a molecular weight of 320.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID39982773
Molecular FormulaC12H14ClFN2O3S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H14ClFN2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-5-2-8(14)6-10(11)13/h2,5-6,9H,3-4,7H2,1H3,(H,15,17)
InChIKeyRJVRWVWPKWDQAI-UHFFFAOYSA-N
XLogP1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 39982773) is 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is RJVRWVWPKWDQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-5-2-8(14)6-10(11)13/h2,5-6,9H,3-4,7H2,1H3,(H,15,17).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 320.77 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 39982773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).