N-cyano-N-(4-methoxyphenyl)benzenesulfonamide

C14H12N2O3S — CID 141484431

IUPACN-cyano-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C#N)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-9-7-12(8-10-13)16(11-15)20(17,18)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyGWNKJFQQGPIKTC-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.37
Rot. Bonds4

About N-cyano-N-(4-methoxyphenyl)benzenesulfonamide

N-cyano-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 141484431) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-cyano-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID141484431
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC NameN-cyano-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N(C#N)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H12N2O3S/c1-19-13-9-7-12(8-10-13)16(11-15)20(17,18)14-5-3-2-4-6-14/h2-10H,1H3
InChIKeyGWNKJFQQGPIKTC-UHFFFAOYSA-N
XLogP2.37
TPSA70.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-cyano-N-phenylbenzenesulfonamide
CID 21323003
N-butyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 35766210
N-(4-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4793747
N-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46022004
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 21206459
N-(benzenesulfonyl)-2-methoxy-N-(4-methoxyphenyl)benzamide
CID 19204610
N-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 24719654
(E)-N-(benzenesulfonyl)-N,3-bis(4-methoxyphenyl)prop-2-enamide
CID 19211692
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 1288778
N-[2-(4-methoxyphenyl)ethenyl]-N-methylbenzenesulfonamide
CID 91458005
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654

Frequently Asked Questions

What is the IUPAC name of N-cyano-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-cyano-N-(4-methoxyphenyl)benzenesulfonamide (CID 141484431) is N-cyano-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-cyano-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-cyano-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N(C#N)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-cyano-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is GWNKJFQQGPIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-19-13-9-7-12(8-10-13)16(11-15)20(17,18)14-5-3-2-4-6-14/h2-10H,1H3.
What are the key properties of N-cyano-N-(4-methoxyphenyl)benzenesulfonamide?
N-cyano-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 288.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 141484431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).