3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide

C16H20N2O2S — CID 62001660

IUPAC3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-6-5-7-14(10-11)18(4)21(19,20)16-12(2)8-9-15(17)13(16)3/h5-10H,17H2,1-4H3
InChIKeyCNJFZUHGQLDICI-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.02
Rot. Bonds3

About 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide

3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 62001660) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID62001660
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)ccc(N)c2C)c1
InChIInChI=1S/C16H20N2O2S/c1-11-6-5-7-14(10-11)18(4)21(19,20)16-12(2)8-9-15(17)13(16)3/h5-10H,17H2,1-4H3
InChIKeyCNJFZUHGQLDICI-UHFFFAOYSA-N
XLogP3.02
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide (CID 62001660) is 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)ccc(N)c2C)c1.
What is the InChIKey of 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is CNJFZUHGQLDICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-6-5-7-14(10-11)18(4)21(19,20)16-12(2)8-9-15(17)13(16)3/h5-10H,17H2,1-4H3.
What are the key properties of 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide?
3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,6-trimethyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 62001660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).