2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide

C13H19ClN2O3S — CID 78793216

IUPAC2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)10-15(3)20(18,19)12-9-7-6-8-11(12)14/h6-9H,4-5,10H2,1-3H3
InChIKeyILARDYZYXAQUBP-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.83
Rot. Bonds6

About 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide

2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide (PubChem CID 78793216) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
PubChem CID78793216
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)10-15(3)20(18,19)12-9-7-6-8-11(12)14/h6-9H,4-5,10H2,1-3H3
InChIKeyILARDYZYXAQUBP-UHFFFAOYSA-N
XLogP1.83
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(aminomethyl)phenyl]sulfonyl-methylamino]-N,N-diethylacetamide
CID 61452012
2-chloro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60962314
5-[(2-chlorophenyl)sulfonyl-methylamino]pentanoic acid
CID 69317552
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387781
2-chloro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 61018551
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 61116268
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
2-[(5,6-dichloro-3-pyridinyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 64608778
2-chloro-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957799
2-[(2-chlorophenyl)sulfonyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7937851

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide (CID 78793216) is 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
The InChIKey is ILARDYZYXAQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-4-16(5-2)13(17)10-15(3)20(18,19)12-9-7-6-8-11(12)14/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide?
2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide has a molecular weight of 318.83 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonyl-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 78793216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).