N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

C20H31F3N2O3S — CID 22567701

IUPACN-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(CCCCCNCCO)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H31F3N2O3S/c21-20(22,23)17-7-11-19(12-8-17)29(27,28)25-18-9-5-16(6-10-18)4-2-1-3-13-24-14-15-26/h7-8,11-12,16,18,24-26H,1-6,9-10,13-15H2
InChIKeyCIEYZIMNSXMAAO-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.68
Rot. Bonds11

About N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide

N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 22567701) has the molecular formula C20H31F3N2O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID22567701
Molecular FormulaC20H31F3N2O3S
Molecular Weight436.54 g/mol
Exact Mass436.20
IUPAC NameN-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(CCCCCNCCO)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H31F3N2O3S/c21-20(22,23)17-7-11-19(12-8-17)29(27,28)25-18-9-5-16(6-10-18)4-2-1-3-13-24-14-15-26/h7-8,11-12,16,18,24-26H,1-6,9-10,13-15H2
InChIKeyCIEYZIMNSXMAAO-UHFFFAOYSA-N
XLogP3.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide (CID 22567701) is N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCC(CCCCCNCCO)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CIEYZIMNSXMAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F3N2O3S/c21-20(22,23)17-7-11-19(12-8-17)29(27,28)25-18-9-5-16(6-10-18)4-2-1-3-13-24-14-15-26/h7-8,11-12,16,18,24-26H,1-6,9-10,13-15H2.
What are the key properties of N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 436.54 g/mol, XLogP of 3.68, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-hydroxyethylamino)pentyl]cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22567701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).