5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide

C15H25N3O2S — CID 103287126

IUPAC5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCCC(Nc2ccc(N)cc2S(=O)(=O)NC)C1
InChIInChI=1S/C15H25N3O2S/c1-3-11-5-4-6-13(9-11)18-14-8-7-12(16)10-15(14)21(19,20)17-2/h7-8,10-11,13,17-18H,3-6,9,16H2,1-2H3
InChIKeyLVBPYAWHPROCMI-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.56
Rot. Bonds5

About 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide

5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide (PubChem CID 103287126) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
PubChem CID103287126
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide
SMILESCCC1CCCC(Nc2ccc(N)cc2S(=O)(=O)NC)C1
InChIInChI=1S/C15H25N3O2S/c1-3-11-5-4-6-13(9-11)18-14-8-7-12(16)10-15(14)21(19,20)17-2/h7-8,10-11,13,17-18H,3-6,9,16H2,1-2H3
InChIKeyLVBPYAWHPROCMI-UHFFFAOYSA-N
XLogP2.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.56
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-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide (CID 103287126) is 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide is CCC1CCCC(Nc2ccc(N)cc2S(=O)(=O)NC)C1.
What is the InChIKey of 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is LVBPYAWHPROCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-11-5-4-6-13(9-11)18-14-8-7-12(16)10-15(14)21(19,20)17-2/h7-8,10-11,13,17-18H,3-6,9,16H2,1-2H3.
What are the key properties of 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide?
5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-ethylcyclohexyl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 103287126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).