2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide

C11H10ClN3O2S — CID 75451266

IUPAC2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC#N)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-2-15(6-5-13)18(16,17)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,6H2,1H3
InChIKeyNVIQFBXBJHBJLE-UHFFFAOYSA-N
MW283.74 g/mol
LogP1.75
Rot. Bonds4

About 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide

2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide (PubChem CID 75451266) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
PubChem CID75451266
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC#N)S(=O)(=O)c1ccc(C#N)cc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-2-15(6-5-13)18(16,17)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,6H2,1H3
InChIKeyNVIQFBXBJHBJLE-UHFFFAOYSA-N
XLogP1.75
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-cyano-N-ethyl-N-propan-2-ylbenzenesulfonamide
CID 103989310
methyl 3-[(2-chloro-4-cyanophenyl)sulfonyl-ethylamino]propanoate
CID 103989148
2-chloro-4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106608125
2-chloro-4-cyano-N-(2-cyanoethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 103989351
2-[butyl-(2-chloro-4-cyanophenyl)sulfonylamino]acetamide
CID 103989074
2-[(2-chloro-4-cyanophenyl)sulfonyl-propylamino]-N-methylacetamide
CID 103989150
2-chloro-N,N-diethyl-4-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823479
2-chloro-4-cyano-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 103989122
N-(cyanomethyl)-N-ethyl-2-methylsulfonylbenzenesulfonamide
CID 86861078
2-chloro-4-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 103990035
4-amino-2-chloro-N-(2-cyanoethyl)-N-ethylbenzenesulfonamide
CID 61138325
2-chloro-4-cyano-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989140

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide (CID 75451266) is 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide is CCN(CC#N)S(=O)(=O)c1ccc(C#N)cc1Cl.
What is the InChIKey of 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide?
The InChIKey is NVIQFBXBJHBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-2-15(6-5-13)18(16,17)11-4-3-9(8-14)7-10(11)12/h3-4,7H,2,6H2,1H3.
What are the key properties of 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide?
2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(cyanomethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 75451266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).