1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide

C15H15N3O2S — CID 62104261

IUPAC1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H15N3O2S/c1-11-5-6-12(9-16)8-15(11)18-21(19,20)10-13-3-2-4-14(17)7-13/h2-8,18H,10,17H2,1H3
InChIKeyWXNVUSALWPGQRW-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide

1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide (PubChem CID 62104261) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
PubChem CID62104261
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
SMILESCc1ccc(C#N)cc1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C15H15N3O2S/c1-11-5-6-12(9-16)8-15(11)18-21(19,20)10-13-3-2-4-14(17)7-13/h2-8,18H,10,17H2,1H3
InChIKeyWXNVUSALWPGQRW-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

1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
N-(5-cyano-2-methylphenyl)-1-methylsulfonylmethanesulfonamide
CID 82842924
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
3-[(5-amino-2-methylphenyl)sulfonylmethyl]benzonitrile
CID 81190191
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 43256586
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-(5-cyano-2-methylphenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594122
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
3-(2-methoxyethylsulfamoylamino)-4-methylbenzonitrile
CID 114815107
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
3-[3-(3-aminophenyl)propoxy]-4-methylbenzonitrile
CID 107658274

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide (CID 62104261) is 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide is Cc1ccc(C#N)cc1NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide?
The InChIKey is WXNVUSALWPGQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-11-5-6-12(9-16)8-15(11)18-21(19,20)10-13-3-2-4-14(17)7-13/h2-8,18H,10,17H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide?
1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)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 1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 62104261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).