2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide

C11H14ClN3O2S — CID 106338134

IUPAC2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H14ClN3O2S/c1-2-15-18(16,17)6-5-14-11-7-10(12)4-3-9(11)8-13/h3-4,7,14-15H,2,5-6H2,1H3
InChIKeyXVLSAZHSILCXPQ-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.56
Rot. Bonds6

About 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide

2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide (PubChem CID 106338134) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide
PubChem CID106338134
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cc(Cl)ccc1C#N
InChIInChI=1S/C11H14ClN3O2S/c1-2-15-18(16,17)6-5-14-11-7-10(12)4-3-9(11)8-13/h3-4,7,14-15H,2,5-6H2,1H3
InChIKeyXVLSAZHSILCXPQ-UHFFFAOYSA-N
XLogP1.56
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
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3-chloro-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
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4-chloro-2-[(4-methylsulfonylphenyl)methylamino]benzonitrile
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4-(5-chloro-2-cyanoanilino)-2-methylbutanoic acid
CID 80540426
2-(3-cyano-4-nitroanilino)-N-ethylethanesulfonamide
CID 106337964
4-chloro-2-(4-hydroxypentylamino)benzonitrile
CID 107269208
4-chloro-N-(5-chloro-2-cyanophenyl)butane-1-sulfonamide
CID 116815564
5-chloro-2-(3-methylsulfonylpropylamino)benzonitrile
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2-(5-chloro-2-cyanoanilino)acetic acid
CID 63081728

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide?
The IUPAC name of 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide (CID 106338134) is 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide.
What is the SMILES notation for 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide?
The canonical SMILES for 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cc(Cl)ccc1C#N.
What is the InChIKey of 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide?
The InChIKey is XVLSAZHSILCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-2-15-18(16,17)6-5-14-11-7-10(12)4-3-9(11)8-13/h3-4,7,14-15H,2,5-6H2,1H3.
What are the key properties of 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide?
2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide has a molecular weight of 287.77 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-cyanoanilino)-N-ethylethanesulfonamide is sourced from PubChem (CID 106338134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).