N-butyl-3-cyano-N-ethylbenzenesulfonamide

C13H18N2O2S — CID 24700685

IUPACN-butyl-3-cyano-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N2O2S/c1-3-5-9-15(4-2)18(16,17)13-8-6-7-12(10-13)11-14/h6-8,10H,3-5,9H2,1-2H3
InChIKeyXMCJWQJFFNOJFF-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.37
Rot. Bonds6

About N-butyl-3-cyano-N-ethylbenzenesulfonamide

N-butyl-3-cyano-N-ethylbenzenesulfonamide (PubChem CID 24700685) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-butyl-3-cyano-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-3-cyano-N-ethylbenzenesulfonamide
PubChem CID24700685
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-butyl-3-cyano-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1cccc(C#N)c1
InChIInChI=1S/C13H18N2O2S/c1-3-5-9-15(4-2)18(16,17)13-8-6-7-12(10-13)11-14/h6-8,10H,3-5,9H2,1-2H3
InChIKeyXMCJWQJFFNOJFF-UHFFFAOYSA-N
XLogP2.37
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
3-cyano-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 60539740
3-cyano-N-propan-2-yl-N-propylbenzenesulfonamide
CID 43269699
2-amino-N-butyl-4-cyano-N-ethylbenzenesulfonamide
CID 64899980
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-propylbenzenesulfonamide
CID 60844426
N-benzyl-3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 3252921
3-(3-aminoprop-1-ynyl)-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61447399
3-[(3-cyanophenyl)sulfonylamino]-N,N-diethyl-4-methylbenzenesulfonamide
CID 4835973
3-(3-aminoprop-1-ynyl)-N-ethyl-N-propylbenzenesulfonamide
CID 54926868
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60981199
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-cyano-N-ethylbenzenesulfonamide?
The IUPAC name of N-butyl-3-cyano-N-ethylbenzenesulfonamide (CID 24700685) is N-butyl-3-cyano-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-3-cyano-N-ethylbenzenesulfonamide?
The canonical SMILES for N-butyl-3-cyano-N-ethylbenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1cccc(C#N)c1.
What is the InChIKey of N-butyl-3-cyano-N-ethylbenzenesulfonamide?
The InChIKey is XMCJWQJFFNOJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-5-9-15(4-2)18(16,17)13-8-6-7-12(10-13)11-14/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of N-butyl-3-cyano-N-ethylbenzenesulfonamide?
N-butyl-3-cyano-N-ethylbenzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-cyano-N-ethylbenzenesulfonamide is sourced from PubChem (CID 24700685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).