3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide

C16H20N2O2S — CID 28541147

IUPAC3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
SMILESCc1cc(C)c(CNc2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-7-12(2)16(13(3)8-11)10-18-14-5-4-6-15(9-14)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20)
InChIKeyREKHYUZZHBNLQE-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.87
Rot. Bonds4

About 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide

3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide (PubChem CID 28541147) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
PubChem CID28541147
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide
SMILESCc1cc(C)c(CNc2cccc(S(N)(=O)=O)c2)c(C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-7-12(2)16(13(3)8-11)10-18-14-5-4-6-15(9-14)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20)
InChIKeyREKHYUZZHBNLQE-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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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide?
The IUPAC name of 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide (CID 28541147) is 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide?
The canonical SMILES for 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide is Cc1cc(C)c(CNc2cccc(S(N)(=O)=O)c2)c(C)c1.
What is the InChIKey of 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide?
The InChIKey is REKHYUZZHBNLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-7-12(2)16(13(3)8-11)10-18-14-5-4-6-15(9-14)21(17,19)20/h4-9,18H,10H2,1-3H3,(H2,17,19,20).
What are the key properties of 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide?
3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide 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-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 28541147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).