3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

C22H20N2O3S — CID 39665417

IUPAC3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c1
InChIInChI=1S/C22H20N2O3S/c23-14-19-9-6-12-22(13-19)28(25,26)24-15-20-10-4-5-11-21(20)17-27-16-18-7-2-1-3-8-18/h1-13,24H,15-17H2
InChIKeyVHSRRTTXNLUCFL-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.75
Rot. Bonds8

About 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide

3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 39665417) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
PubChem CID39665417
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c1
InChIInChI=1S/C22H20N2O3S/c23-14-19-9-6-12-22(13-19)28(25,26)24-15-20-10-4-5-11-21(20)17-27-16-18-7-2-1-3-8-18/h1-13,24H,15-17H2
InChIKeyVHSRRTTXNLUCFL-UHFFFAOYSA-N
XLogP3.75
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 26542199
3-cyano-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 28534651
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
3-cyano-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232055
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
2-[(3-cyanophenyl)sulfonylamino]acetic acid
CID 3796207
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-cyano-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63010767
N-(5-bromo-3-phenylmethoxypyrazin-2-yl)-3-cyanobenzenesulfonamide
CID 23076211
N-benzyl-2-[(3-cyanophenyl)sulfonylamino]-N-methylacetamide
CID 112760071
N-benzyl-3-(cyanomethyl)benzenesulfonamide
CID 91388949
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 26545327

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide (CID 39665417) is 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCc2ccccc2COCc2ccccc2)c1.
What is the InChIKey of 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is VHSRRTTXNLUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c23-14-19-9-6-12-22(13-19)28(25,26)24-15-20-10-4-5-11-21(20)17-27-16-18-7-2-1-3-8-18/h1-13,24H,15-17H2.
What are the key properties of 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide?
3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[[2-(phenylmethoxymethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 39665417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).