2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide

C14H17ClN2O3S — CID 60516291

IUPAC2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c1-3-17(9-11(2)8-16)14(18)10-21(19,20)13-6-4-12(15)5-7-13/h4-7,11H,3,9-10H2,1-2H3
InChIKeyGNJATNAQKAAXJJ-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.12
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide

2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide (PubChem CID 60516291) has the molecular formula C14H17ClN2O3S and a molecular weight of 328.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
PubChem CID60516291
Molecular FormulaC14H17ClN2O3S
Molecular Weight328.82 g/mol
Exact Mass328.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide
SMILESCCN(CC(C)C#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O3S/c1-3-17(9-11(2)8-16)14(18)10-21(19,20)13-6-4-12(15)5-7-13/h4-7,11H,3,9-10H2,1-2H3
InChIKeyGNJATNAQKAAXJJ-UHFFFAOYSA-N
XLogP2.12
TPSA78.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
2-[4-(4-chlorobenzoyl)phenoxy]-N-(2-cyanopropyl)-N-ethylacetamide
CID 60516089
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
4-chloro-N-(2-cyanopropyl)-N-ethyl-2-hydroxybenzamide
CID 54988577
N-[(4-chlorophenyl)methyl]-2-(4-chlorophenyl)sulfonyl-N-methylacetamide
CID 31988550
4-chloro-2-[[2-[[(2R)-2-cyanopropyl]-ethylamino]-2-oxoethyl]amino]benzamide
CID 97054732
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012
5-chloro-N-(2-cyanopropyl)-N-ethyl-2-methoxybenzamide
CID 54988535
N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
CID 86831680
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
4-amino-2-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 61110331

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide (CID 60516291) is 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide is CCN(CC(C)C#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide?
The InChIKey is GNJATNAQKAAXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3S/c1-3-17(9-11(2)8-16)14(18)10-21(19,20)13-6-4-12(15)5-7-13/h4-7,11H,3,9-10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide?
2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide has a molecular weight of 328.82 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(2-cyanopropyl)-N-ethylacetamide is sourced from PubChem (CID 60516291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).