2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide

C10H11ClN2O2S — CID 107651425

IUPAC2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)CCCl)cc1
InChIInChI=1S/C10H11ClN2O2S/c11-6-8-16(14,15)13-10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2
InChIKeyFYIVUJKOZQKWEY-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.73
Rot. Bonds5

About 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide

2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide (PubChem CID 107651425) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
PubChem CID107651425
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)CCCl)cc1
InChIInChI=1S/C10H11ClN2O2S/c11-6-8-16(14,15)13-10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2
InChIKeyFYIVUJKOZQKWEY-UHFFFAOYSA-N
XLogP1.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
CID 99794707
2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
CID 114807814
2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
CID 107650614
4-amino-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 62057983
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 3841445
N-[4-(cyanomethyl)phenyl]piperidine-1-sulfonamide
CID 62303926
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
N-[4-(cyanomethyl)phenyl]-4-propylbenzenesulfonamide
CID 25042511
4-tert-butyl-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 25036783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide (CID 107651425) is 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide is N#CCc1ccc(NS(=O)(=O)CCCl)cc1.
What is the InChIKey of 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
The InChIKey is FYIVUJKOZQKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-6-8-16(14,15)13-10-3-1-9(2-4-10)5-7-12/h1-4,13H,5-6,8H2.
What are the key properties of 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide?
2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide has a molecular weight of 258.73 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 107651425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).