3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide

C16H20N2O2S — CID 60933450

IUPAC3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(CNc2cccc(S(N)(=O)=O)c2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-14(9-12(11)2)10-18-15-5-4-6-16(13(15)3)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20)
InChIKeyYZLRXAJXPFIHQI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.87
Rot. Bonds4

About 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide

3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide (PubChem CID 60933450) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
PubChem CID60933450
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide
SMILESCc1ccc(CNc2cccc(S(N)(=O)=O)c2C)cc1C
InChIInChI=1S/C16H20N2O2S/c1-11-7-8-14(9-12(11)2)10-18-15-5-4-6-16(13(15)3)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20)
InChIKeyYZLRXAJXPFIHQI-UHFFFAOYSA-N
XLogP2.87
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-3-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 81432551
4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzenesulfonamide
CID 43791004
3-[(5-fluoro-2-hydroxyphenyl)methylamino]-2-methylbenzenesulfonamide
CID 107694407
3-(furan-2-ylmethylamino)-2-methylbenzenesulfonamide
CID 54867068
N-[(3,4-dimethylphenyl)methyl]-2,6-diethylaniline
CID 63490881
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
3-(hexylamino)-2-methylbenzenesulfonamide
CID 54866925
5-amino-3-[(3-fluorophenyl)methylamino]-2-methylbenzenesulfonamide
CID 79899493
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
4-[(3,4-dimethylphenyl)methylamino]-2,5-dimethylphenol
CID 106953736
2-methyl-3-[(3-methylimidazol-4-yl)methylamino]benzenesulfonamide
CID 66117075

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide (CID 60933450) is 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide is Cc1ccc(CNc2cccc(S(N)(=O)=O)c2C)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide?
The InChIKey is YZLRXAJXPFIHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-7-8-14(9-12(11)2)10-18-15-5-4-6-16(13(15)3)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20).
What are the key properties of 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide?
3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)methylamino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 60933450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).