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

C15H25N3O2S — CID 79900416

IUPAC5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide
SMILESCc1c(NCC2CCCCC2C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10-5-3-4-6-12(10)9-18-14-7-13(16)8-15(11(14)2)21(17,19)20/h7-8,10,12,18H,3-6,9,16H2,1-2H3,(H2,17,19,20)
InChIKeyZIIQYWLLTSCNPZ-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.46
Rot. Bonds4

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

5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide (PubChem CID 79900416) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide
PubChem CID79900416
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide
SMILESCc1c(NCC2CCCCC2C)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C15H25N3O2S/c1-10-5-3-4-6-12(10)9-18-14-7-13(16)8-15(11(14)2)21(17,19)20/h7-8,10,12,18H,3-6,9,16H2,1-2H3,(H2,17,19,20)
InChIKeyZIIQYWLLTSCNPZ-UHFFFAOYSA-N
XLogP2.46
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
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-[(2-methylcyclohexyl)methylamino]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide (CID 79900416) is 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide is Cc1c(NCC2CCCCC2C)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide?
The InChIKey is ZIIQYWLLTSCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-10-5-3-4-6-12(10)9-18-14-7-13(16)8-15(11(14)2)21(17,19)20/h7-8,10,12,18H,3-6,9,16H2,1-2H3,(H2,17,19,20).
What are the key properties of 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide?
5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[(2-methylcyclohexyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 79900416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).