N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

C25H26FN3O4S2 — CID 11203100

IUPACN-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26FN3O4S2/c1-34-21-7-5-6-20(15-21)33-25-23(14-17(26)16-27-25)24(30)28-18-10-12-19(13-11-18)29-35(31,32)22-8-3-2-4-9-22/h2-9,14-16,18-19,29H,10-13H2,1H3,(H,28,30)
InChIKeyNRFBNWLJZWXQIT-UHFFFAOYSA-N
MW515.63 g/mol
LogP4.75
Rot. Bonds8

About N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide

N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (PubChem CID 11203100) has the molecular formula C25H26FN3O4S2 and a molecular weight of 515.63 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
PubChem CID11203100
Molecular FormulaC25H26FN3O4S2
Molecular Weight515.63 g/mol
Exact Mass515.13
IUPAC NameN-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide
SMILESCSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C25H26FN3O4S2/c1-34-21-7-5-6-20(15-21)33-25-23(14-17(26)16-27-25)24(30)28-18-10-12-19(13-11-18)29-35(31,32)22-8-3-2-4-9-22/h2-9,14-16,18-19,29H,10-13H2,1H3,(H,28,30)
InChIKeyNRFBNWLJZWXQIT-UHFFFAOYSA-N
XLogP4.75
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.63
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide (CID 11203100) is N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is CSc1cccc(Oc2ncc(F)cc2C(=O)NC2CCC(NS(=O)(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
The InChIKey is NRFBNWLJZWXQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O4S2/c1-34-21-7-5-6-20(15-21)33-25-23(14-17(26)16-27-25)24(30)28-18-10-12-19(13-11-18)29-35(31,32)22-8-3-2-4-9-22/h2-9,14-16,18-19,29H,10-13H2,1H3,(H,28,30).
What are the key properties of N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide?
N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide has a molecular weight of 515.63 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzenesulfonamido)cyclohexyl]-5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 11203100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).