5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide

C15H25N3O2S — CID 79900084

IUPAC5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCc1c(N(C)C2CCCC(C)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10-5-4-6-13(7-10)18(3)14-8-12(16)9-15(11(14)2)21(17,19)20/h8-10,13H,4-7,16H2,1-3H3,(H2,17,19,20)
InChIKeyIVVYUIAADOPQRB-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.24
Rot. Bonds3

About 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide

5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 79900084) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID79900084
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCc1c(N(C)C2CCCC(C)C2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10-5-4-6-13(7-10)18(3)14-8-12(16)9-15(11(14)2)21(17,19)20/h8-10,13H,4-7,16H2,1-3H3,(H2,17,19,20)
InChIKeyIVVYUIAADOPQRB-UHFFFAOYSA-N
XLogP2.24
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide (CID 79900084) is 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide is Cc1c(N(C)C2CCCC(C)C2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is IVVYUIAADOPQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-5-4-6-13(7-10)18(3)14-8-12(16)9-15(11(14)2)21(17,19)20/h8-10,13H,4-7,16H2,1-3H3,(H2,17,19,20).
What are the key properties of 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 79900084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).