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

C14H23N3O2S — CID 115992447

IUPAC2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(N(C)c2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-3-6-11(9-10)17(2)12-7-4-8-13(14(12)15)20(16,18)19/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyMMNQEEKSAVXRSL-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.93
Rot. Bonds3

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

2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide (PubChem CID 115992447) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
PubChem CID115992447
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCCC(N(C)c2cccc(S(N)(=O)=O)c2N)C1
InChIInChI=1S/C14H23N3O2S/c1-10-5-3-6-11(9-10)17(2)12-7-4-8-13(14(12)15)20(16,18)19/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3,(H2,16,18,19)
InChIKeyMMNQEEKSAVXRSL-UHFFFAOYSA-N
XLogP1.93
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.93
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 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide (CID 115992447) is 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide is CC1CCCC(N(C)c2cccc(S(N)(=O)=O)c2N)C1.
What is the InChIKey of 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is MMNQEEKSAVXRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-5-3-6-11(9-10)17(2)12-7-4-8-13(14(12)15)20(16,18)19/h4,7-8,10-11H,3,5-6,9,15H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide?
2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 115992447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).