N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide

C15H15N3O2S — CID 43604837

IUPACN-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H15N3O2S/c1-11-7-14(5-6-15(11)17)18-21(19,20)10-13-4-2-3-12(8-13)9-16/h2-8,18H,10,17H2,1H3
InChIKeyNYKKFNKKKUNPMG-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.39
Rot. Bonds4

About N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide

N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide (PubChem CID 43604837) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
PubChem CID43604837
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2cccc(C#N)c2)ccc1N
InChIInChI=1S/C15H15N3O2S/c1-11-7-14(5-6-15(11)17)18-21(19,20)10-13-4-2-3-12(8-13)9-16/h2-8,18H,10,17H2,1H3
InChIKeyNYKKFNKKKUNPMG-UHFFFAOYSA-N
XLogP2.39
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
CID 62104261
1-(3-cyanophenyl)-N-(3-prop-2-enoxyphenyl)methanesulfonamide
CID 84598578
3-[(2-amino-3-methylphenyl)sulfonylmethyl]benzonitrile
CID 81188599
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
3-[(5-amino-2-methylphenyl)sulfonylmethyl]benzonitrile
CID 81190191
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
N-(4-bromo-2-pyridinyl)-1-(3-cyanophenyl)methanesulfonamide
CID 102822237
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
2-amino-N-(3-cyanophenyl)-6-methylbenzenesulfonamide
CID 43452384

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide (CID 43604837) is N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide is Cc1cc(NS(=O)(=O)Cc2cccc(C#N)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide?
The InChIKey is NYKKFNKKKUNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-7-14(5-6-15(11)17)18-21(19,20)10-13-4-2-3-12(8-13)9-16/h2-8,18H,10,17H2,1H3.
What are the key properties of N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide?
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 43604837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).