N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

C12H14Cl2N2O3S — CID 891851

IUPACN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,15,17)
InChIKeyYNAKPHSFYRPKRO-UHFFFAOYSA-N
MW337.23 g/mol
LogP1.89
Rot. Bonds5

About N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 891851) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID891851
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC NameN-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,15,17)
InChIKeyYNAKPHSFYRPKRO-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 803952
2,5-Dichloro-N-methyl-N-(2-oxo-2-pyrrolidin-1-yl-ethyl)-benzenesulfonamide
CID 1082969
N~2~-[(2,5-dichlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(2,2,6,6-tetramethyl-4-piperidinyl)glycinamide
CID 1301626
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
CID 3157090
N~2~-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-N~2~-ethylglycinamide
CID 1263934
4-((2,3-Dichlorophenyl)sulfonyl)piperazin-2-one
CID 2604523
2-{4-[(4-chlorophenyl)sulfonyl]piperazinyl}-N-cyclopropylacetamide
CID 6469552
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 1331562
4-(2,5-Dichlorophenyl)sulfonylpiperazin-2-one
CID 2524974
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 39982773

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide (CID 891851) is N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is YNAKPHSFYRPKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-16(7-12(17)15-9-3-4-9)20(18,19)11-6-8(13)2-5-10(11)14/h2,5-6,9H,3-4,7H2,1H3,(H,15,17).
What are the key properties of N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 337.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 891851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).