2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide

C16H26N2O2S — CID 61444342

IUPAC2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-13(3)12(2)9-15(16)17/h9-11,14H,5-8,17H2,1-4H3
InChIKeySTAQCPMBPZGASZ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.08
Rot. Bonds3

About 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide

2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 61444342) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID61444342
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)C2CCCC(C)C2)cc1C
InChIInChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-13(3)12(2)9-15(16)17/h9-11,14H,5-8,17H2,1-4H3
InChIKeySTAQCPMBPZGASZ-UHFFFAOYSA-N
XLogP3.08
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 9863611
CID 9863611
CID 10286330
CID 10286330
CID 11163741
CID 11163741
CID 16718826
CID 16718826
CID 16718827
CID 16718827
CID 44425698
CID 44425698
CID 44425699
CID 44425699
CID 44425701
CID 44425701
CID 3034961
CID 3034961
CID 2696844
CID 2696844
CID 2696950
CID 2696950
CID 11849745
CID 11849745

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 61444342) is 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)N(C)C2CCCC(C)C2)cc1C.
What is the InChIKey of 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is STAQCPMBPZGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-6-5-7-14(8-11)18(4)21(19,20)16-10-13(3)12(2)9-15(16)17/h9-11,14H,5-8,17H2,1-4H3.
What are the key properties of 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide?
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61444342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).