3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide

C15H24N2O2S — CID 79836934

IUPAC3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(NC2CCCCC2(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-11-12(7-6-8-13(11)20(16,18)19)17-14-9-4-5-10-15(14,2)3/h6-8,14,17H,4-5,9-10H2,1-3H3,(H2,16,18,19)
InChIKeyYHTFJYUICSVJDP-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.02
Rot. Bonds3

About 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide

3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide (PubChem CID 79836934) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
PubChem CID79836934
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(NC2CCCCC2(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-11-12(7-6-8-13(11)20(16,18)19)17-14-9-4-5-10-15(14,2)3/h6-8,14,17H,4-5,9-10H2,1-3H3,(H2,16,18,19)
InChIKeyYHTFJYUICSVJDP-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide (CID 79836934) is 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide is Cc1c(NC2CCCCC2(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is YHTFJYUICSVJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-12(7-6-8-13(11)20(16,18)19)17-14-9-4-5-10-15(14,2)3/h6-8,14,17H,4-5,9-10H2,1-3H3,(H2,16,18,19).
What are the key properties of 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide?
3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 296.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 79836934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).