N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide

C15H18N2O2S — CID 103110630

IUPACN-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1cccc(N)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-3-4-9-15(11)20(18,19)17-10-13-7-5-8-14(16)12(13)2/h3-9,17H,10,16H2,1-2H3
InChIKeyNFPGNXWMAVMIQJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide

N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide (PubChem CID 103110630) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
PubChem CID103110630
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1cccc(N)c1C
InChIInChI=1S/C15H18N2O2S/c1-11-6-3-4-9-15(11)20(18,19)17-10-13-7-5-8-14(16)12(13)2/h3-9,17H,10,16H2,1-2H3
InChIKeyNFPGNXWMAVMIQJ-UHFFFAOYSA-N
XLogP2.36
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
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

2-methyl-3-[(2-methylphenyl)sulfonylmethyl]aniline
CID 60892582
N-[(3-amino-2-methylphenyl)methyl]-4-bromo-2-fluorobenzenesulfonamide
CID 103110634
3-amino-2-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954460
1-amino-3-[(dimethylsulfamoylamino)methyl]-2-methylbenzene
CID 103110527
N-[(3-amino-2-methylphenyl)methyl]propane-1-sulfonamide
CID 103110469
2-(aminomethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903937
3-[(2-ethylsulfonylanilino)methyl]-2-methylaniline
CID 103110760
2-amino-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 22722440
N-[(3-amino-2-methylphenyl)methyl]-2-phenylethanesulfonamide
CID 103110484
N-[(3-amino-2-methylphenyl)methyl]-3-bromothiophene-2-sulfonamide
CID 103110455
2-amino-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 60903343
N-[(3-amino-2-methylphenyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 103110598

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide (CID 103110630) is N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1cccc(N)c1C.
What is the InChIKey of N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide?
The InChIKey is NFPGNXWMAVMIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-3-4-9-15(11)20(18,19)17-10-13-7-5-8-14(16)12(13)2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide?
N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-2-methylphenyl)methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 103110630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).