N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide

C23H31FN4O3S — CID 166097455

IUPACN-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCC(NCCc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C23H31FN4O3S/c24-19-3-1-18(2-4-19)11-12-25-20-5-7-21(8-6-20)27-32(29,30)23-10-9-22(17-26-23)28-13-15-31-16-14-28/h1-4,9-10,17,20-21,25,27H,5-8,11-16H2
InChIKeyBPCAZTVAKOZXQK-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.48
Rot. Bonds8

About N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide

N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide (PubChem CID 166097455) has the molecular formula C23H31FN4O3S and a molecular weight of 462.59 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide
PubChem CID166097455
Molecular FormulaC23H31FN4O3S
Molecular Weight462.59 g/mol
Exact Mass462.21
IUPAC NameN-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide
SMILESO=S(=O)(NC1CCC(NCCc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cn1
InChIInChI=1S/C23H31FN4O3S/c24-19-3-1-18(2-4-19)11-12-25-20-5-7-21(8-6-20)27-32(29,30)23-10-9-22(17-26-23)28-13-15-31-16-14-28/h1-4,9-10,17,20-21,25,27H,5-8,11-16H2
InChIKeyBPCAZTVAKOZXQK-UHFFFAOYSA-N
XLogP2.48
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide (CID 166097455) is N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide is O=S(=O)(NC1CCC(NCCc2ccc(F)cc2)CC1)c1ccc(N2CCOCC2)cn1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide?
The InChIKey is BPCAZTVAKOZXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O3S/c24-19-3-1-18(2-4-19)11-12-25-20-5-7-21(8-6-20)27-32(29,30)23-10-9-22(17-26-23)28-13-15-31-16-14-28/h1-4,9-10,17,20-21,25,27H,5-8,11-16H2.
What are the key properties of N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide?
N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide has a molecular weight of 462.59 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)ethylamino]cyclohexyl]-5-morpholin-4-ylpyridine-2-sulfonamide is sourced from PubChem (CID 166097455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).