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

C15H18N2O2S — CID 60902763

IUPAC3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)10-17-20(18,19)15-8-4-7-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3
InChIKeyKZXIMEQLWQUFAE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds4

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

3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 60902763) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
PubChem CID60902763
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)10-17-20(18,19)15-8-4-7-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3
InChIKeyKZXIMEQLWQUFAE-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

3-amino-2-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 29038629
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
3-amino-N-[(3-chlorophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885283
3-amino-N-[(3-bromophenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 79885294
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
3-amino-4-fluoro-5-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 115421305
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
4-amino-3-methoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 81440806

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide (CID 60902763) is 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2cccc(N)c2C)c1.
What is the InChIKey of 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is KZXIMEQLWQUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-5-3-6-13(9-11)10-17-20(18,19)15-8-4-7-14(16)12(15)2/h3-9,17H,10,16H2,1-2H3.
What are the key properties of 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide?
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide 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 3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 60902763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).