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

C14H16N2O2S — CID 43256226

IUPAC1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H16N2O2S/c1-11-5-2-3-8-14(11)16-19(17,18)10-12-6-4-7-13(15)9-12/h2-9,16H,10,15H2,1H3
InChIKeyBNJFLUROHSWKBI-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.52
Rot. Bonds4

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

1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide (PubChem CID 43256226) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
PubChem CID43256226
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H16N2O2S/c1-11-5-2-3-8-14(11)16-19(17,18)10-12-6-4-7-13(15)9-12/h2-9,16H,10,15H2,1H3
InChIKeyBNJFLUROHSWKBI-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 4-methyl-N-phenyl-
CID 2456
2',4'-Dimethylbenzenesulfonanilide
CID 295226
N,1-diphenylmethanesulfonamide
CID 669287
N,N'-(2-Methyl-1,4-phenylene)bis(benzenesulfonamide)
CID 261836
N-(4-Aminophenyl)-4-methylbenzenesulfonamide
CID 458884
N-(4-Methylphenyl)methanesulfonamide
CID 835475
N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
4-amino-N-p-tolylbenzenesulfonamide
CID 572102
N-(2-Cyanophenyl)-4-methylbenzenesulfonamide
CID 561404
N-(2-ethylphenyl)-1-phenylmethanesulfonamide
CID 669288
N-(3-fluorophenyl)-1-phenylmethanesulfonamide
CID 872253

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide (CID 43256226) is 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is BNJFLUROHSWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11-5-2-3-8-14(11)16-19(17,18)10-12-6-4-7-13(15)9-12/h2-9,16H,10,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 43256226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).