N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide

C13H18N2O2S — CID 47387967

IUPACN-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O2S/c1-4-15(10-12(3)9-14)18(16,17)13-7-5-6-11(2)8-13/h5-8,12H,4,10H2,1-3H3
InChIKeyMQZARQMUDIYNHV-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.17
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide

N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide (PubChem CID 47387967) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
PubChem CID47387967
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide
SMILESCCN(CC(C)C#N)S(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O2S/c1-4-15(10-12(3)9-14)18(16,17)13-7-5-6-11(2)8-13/h5-8,12H,4,10H2,1-3H3
InChIKeyMQZARQMUDIYNHV-UHFFFAOYSA-N
XLogP2.17
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 47387971
2-amino-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61138586
3,5-dichloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387979
4-chloro-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 47387960
3-chloro-4-cyano-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 115591030
N-(2-bromoethyl)-N-ethyl-3-methylbenzenesulfonamide
CID 80676549
2-bromo-5-[2-cyanopropyl(ethyl)sulfamoyl]benzoic acid
CID 60951344
3-amino-5-chloro-N-(2-cyanopropyl)-N-ethyl-4-methylbenzenesulfonamide
CID 61139914
5-amino-N-(2-cyanopropyl)-N-ethyl-2-methylbenzenesulfonamide
CID 61138965
N-[4-[2-cyanopropyl(ethyl)sulfamoyl]phenyl]acetamide
CID 61384877
N-(2-cyanopropyl)-3-methylbenzenesulfonamide
CID 62651128
N-(2-cyanopropyl)-N-ethyl-2-methyl-3-nitrobenzenesulfonamide
CID 61384880

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide (CID 47387967) is N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide is CCN(CC(C)C#N)S(=O)(=O)c1cccc(C)c1.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide?
The InChIKey is MQZARQMUDIYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-4-15(10-12(3)9-14)18(16,17)13-7-5-6-11(2)8-13/h5-8,12H,4,10H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide?
N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide has a molecular weight of 266.37 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 47387967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).