2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

C27H24FN3O4S — CID 121157280

IUPAC2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-23-10-1-2-12-25(23)36(33,34)30-21-9-3-7-20(18-21)27(32)31-16-13-22(14-17-31)35-24-11-4-6-19-8-5-15-29-26(19)24/h1-12,15,18,22,30H,13-14,16-17H2
InChIKeyFUCXIVHRBVFMJR-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.86
Rot. Bonds6

About 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide

2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 121157280) has the molecular formula C27H24FN3O4S and a molecular weight of 505.57 g/mol. Its IUPAC name is 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID121157280
Molecular FormulaC27H24FN3O4S
Molecular Weight505.57 g/mol
Exact Mass505.15
IUPAC Name2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-23-10-1-2-12-25(23)36(33,34)30-21-9-3-7-20(18-21)27(32)31-16-13-22(14-17-31)35-24-11-4-6-19-8-5-15-29-26(19)24/h1-12,15,18,22,30H,13-14,16-17H2
InChIKeyFUCXIVHRBVFMJR-UHFFFAOYSA-N
XLogP4.86
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 121157280) is 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2ccccc2F)c1)N1CCC(Oc2cccc3cccnc23)CC1.
What is the InChIKey of 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is FUCXIVHRBVFMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4S/c28-23-10-1-2-12-25(23)36(33,34)30-21-9-3-7-20(18-21)27(32)31-16-13-22(14-17-31)35-24-11-4-6-19-8-5-15-29-26(19)24/h1-12,15,18,22,30H,13-14,16-17H2.
What are the key properties of 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 505.57 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121157280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).