4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide

C17H26N2O3S — CID 86790763

IUPAC4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCCC2OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c18-13-9-11-15(12-10-13)23(20,21)19-16-7-3-4-8-17(16)22-14-5-1-2-6-14/h9-12,14,16-17,19H,1-8,18H2
InChIKeyQCRHFVWBGUPBEP-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.82
Rot. Bonds5

About 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide

4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide (PubChem CID 86790763) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
PubChem CID86790763
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCCCC2OC2CCCC2)cc1
InChIInChI=1S/C17H26N2O3S/c18-13-9-11-15(12-10-13)23(20,21)19-16-7-3-4-8-17(16)22-14-5-1-2-6-14/h9-12,14,16-17,19H,1-8,18H2
InChIKeyQCRHFVWBGUPBEP-UHFFFAOYSA-N
XLogP2.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
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 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide (CID 86790763) is 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCCCC2OC2CCCC2)cc1.
What is the InChIKey of 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide?
The InChIKey is QCRHFVWBGUPBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c18-13-9-11-15(12-10-13)23(20,21)19-16-7-3-4-8-17(16)22-14-5-1-2-6-14/h9-12,14,16-17,19H,1-8,18H2.
What are the key properties of 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide?
4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyclopentyloxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 86790763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).