2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide

C10H11ClN2O3S — CID 107651420

IUPAC2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)CCCl)c1
InChIInChI=1S/C10H11ClN2O3S/c11-4-7-17(14,15)13-9-2-1-3-10(8-9)16-6-5-12/h1-3,8,13H,4,6-7H2
InChIKeyIGPAXFZBPBDIHX-UHFFFAOYSA-N
MW274.73 g/mol
LogP1.57
Rot. Bonds6

About 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide

2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide (PubChem CID 107651420) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
PubChem CID107651420
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)CCCl)c1
InChIInChI=1S/C10H11ClN2O3S/c11-4-7-17(14,15)13-9-2-1-3-10(8-9)16-6-5-12/h1-3,8,13H,4,6-7H2
InChIKeyIGPAXFZBPBDIHX-UHFFFAOYSA-N
XLogP1.57
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyanomethoxy)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79594030
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
2-chloro-N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 107651567
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723
N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047897
2-chloro-N-[3-(cyanomethoxy)phenyl]pyridine-3-sulfonamide
CID 61051825
1-chloro-N-[4-(cyanomethoxy)phenyl]methanesulfonamide
CID 63664967
N-[4-(cyanomethoxy)phenyl]propane-1-sulfonamide
CID 43242609
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide (CID 107651420) is 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide is N#CCOc1cccc(NS(=O)(=O)CCCl)c1.
What is the InChIKey of 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide?
The InChIKey is IGPAXFZBPBDIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-4-7-17(14,15)13-9-2-1-3-10(8-9)16-6-5-12/h1-3,8,13H,4,6-7H2.
What are the key properties of 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide?
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide has a molecular weight of 274.73 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 107651420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).