N-[4-(cyanomethyl)phenyl]ethanesulfonamide

C10H12N2O2S — CID 3668419

IUPACN-[4-(cyanomethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C10H12N2O2S/c1-2-15(13,14)12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3
InChIKeyJMEUTWLEXFFLIQ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.51
Rot. Bonds4

About N-[4-(cyanomethyl)phenyl]ethanesulfonamide

N-[4-(cyanomethyl)phenyl]ethanesulfonamide (PubChem CID 3668419) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]ethanesulfonamide
PubChem CID3668419
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC NameN-[4-(cyanomethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(CC#N)cc1
InChIInChI=1S/C10H12N2O2S/c1-2-15(13,14)12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3
InChIKeyJMEUTWLEXFFLIQ-UHFFFAOYSA-N
XLogP1.51
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 107651425
2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
CID 114807814
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783
2-[4-(ethylamino)phenyl]acetonitrile
CID 43229025
CID 174697656
CID 174697656
N-[4-(2-methylpropyl)phenyl]ethanesulfonamide
CID 110776672
1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
CID 99794707
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
2-[4-(3-ethylsulfonylpropylamino)phenyl]acetonitrile
CID 65093265
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]ethanesulfonamide (CID 3668419) is N-[4-(cyanomethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(CC#N)cc1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The InChIKey is JMEUTWLEXFFLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-2-15(13,14)12-10-5-3-9(4-6-10)7-8-11/h3-6,12H,2,7H2,1H3.
What are the key properties of N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
N-[4-(cyanomethyl)phenyl]ethanesulfonamide has a molecular weight of 224.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 3668419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).