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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Related Compounds

N-cyclopropyl-N~2~-[(4-fluorophenyl)sulfonyl]-N~2~-methylglycinamide
CID 975127
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
2-[(2-chlorophenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 24816998
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 2106881
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 891851
2-[benzenesulfonyl(ethyl)amino]-N-cyclopropylacetamide
CID 2985758
2-{[(4-chlorophenyl)sulfonyl]amino}-N-cyclohexylacetamide
CID 4800085
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 16291440
N~2~-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-N~2~-ethylglycinamide
CID 1263934
2-[[(4-fluorophenyl)sulfonyl](methyl)amino]-N-propylacetamide
CID 1750408

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).