5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide

C16H26N2O2S — CID 63996239

IUPAC5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCC(C)CC2C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-5-6-15(12(3)7-10)18-21(19,20)16-9-14(17)8-11(2)13(16)4/h8-10,12,15,18H,5-7,17H2,1-4H3
InChIKeyPAGUJAJHLHVNPT-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.99
Rot. Bonds3

About 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 63996239) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
PubChem CID63996239
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCC(C)CC2C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-5-6-15(12(3)7-10)18-21(19,20)16-9-14(17)8-11(2)13(16)4/h8-10,12,15,18H,5-7,17H2,1-4H3
InChIKeyPAGUJAJHLHVNPT-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
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 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide (CID 63996239) is 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2CCC(C)CC2C)c1C.
What is the InChIKey of 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is PAGUJAJHLHVNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-5-6-15(12(3)7-10)18-21(19,20)16-9-14(17)8-11(2)13(16)4/h8-10,12,15,18H,5-7,17H2,1-4H3.
What are the key properties of 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,4-dimethylcyclohexyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 63996239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).