2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide

C13H16ClN3O3S — CID 103989150

IUPAC2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-17(9-13(18)16-2)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,3,6,9H2,1-2H3,(H,16,18)
InChIKeySRPJSRZZNYXBQQ-UHFFFAOYSA-N
MW329.81 g/mol
LogP1.36
Rot. Bonds6

About 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide

2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide (PubChem CID 103989150) has the molecular formula C13H16ClN3O3S and a molecular weight of 329.81 g/mol. Its IUPAC name is 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
PubChem CID103989150
Molecular FormulaC13H16ClN3O3S
Molecular Weight329.81 g/mol
Exact Mass329.06
IUPAC Name2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O3S/c1-3-6-17(9-13(18)16-2)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,3,6,9H2,1-2H3,(H,16,18)
InChIKeySRPJSRZZNYXBQQ-UHFFFAOYSA-N
XLogP1.36
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.81
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-Chloro-4-methylphenyl)sulfonyl-methylamino]acetamide
CID 53500512
N-[2-[(3-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621830
2-[(4-chloro-2-methylphenyl)sulfonyl-propylamino]-N-methylacetamide
CID 47062335
2-[[2-chloro-4-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-(2-oxobutyl)acetamide
CID 69569517
2-[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-propylacetamide
CID 8401841
2-[(2-chloro-4-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51088733
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-methylacetamide
CID 52393604
4-[2-Chloro-4-(trifluoromethyl)phenyl]sulfonyl-3,3-dimethylpiperazin-2-one
CID 154751044
2-[(2-chloro-4-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 32677205
2-[(4-Cyanophenyl)sulfonyl-(2-methylpropyl)amino]acetamide
CID 38879283
N-[2-(3-Chloro-4-sulfamoyl-phenyl)-ethyl]-acetamide
CID 118162097
1-Butyl-3-(2-chloro-4-methylphenyl)sulfonylurea
CID 163715522

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide (CID 103989150) is 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide?
The InChIKey is SRPJSRZZNYXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3S/c1-3-6-17(9-13(18)16-2)21(19,20)12-5-4-10(8-15)7-11(12)14/h4-5,7H,3,6,9H2,1-2H3,(H,16,18).
What are the key properties of 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide?
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide has a molecular weight of 329.81 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide is sourced from PubChem (CID 103989150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).