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

C16H26N2O2S — CID 79885079

IUPAC3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-12(3)8-15(17)13(16)4/h8-11,14,18H,5-7,17H2,1-4H3
InChIKeySETNSASYSCRXED-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.99
Rot. Bonds3

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

3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 79885079) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
PubChem CID79885079
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)NC2CC(C)CC(C)C2)c1
InChIInChI=1S/C16H26N2O2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-12(3)8-15(17)13(16)4/h8-11,14,18H,5-7,17H2,1-4H3
InChIKeySETNSASYSCRXED-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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Related Compounds

3-amino-N-cyclobutyl-2,5-dimethylbenzenesulfonamide
CID 79889241
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
CID 64733233
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
3-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 106181480
3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-2,5-dimethylaniline
CID 79889840

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide (CID 79885079) is 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)NC2CC(C)CC(C)C2)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is SETNSASYSCRXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-5-11(2)7-14(6-10)18-21(19,20)16-9-12(3)8-15(17)13(16)4/h8-11,14,18H,5-7,17H2,1-4H3.
What are the key properties of 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide?
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-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 3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 79885079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).