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

C27H24FN3O4S — CID 121157281

IUPAC3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-21-8-3-10-24(18-21)36(33,34)30-22-9-1-6-20(17-22)27(32)31-15-12-23(13-16-31)35-25-11-2-5-19-7-4-14-29-26(19)25/h1-11,14,17-18,23,30H,12-13,15-16H2
InChIKeySSTBBSYTUHIACF-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.86
Rot. Bonds6

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

3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 121157281) has the molecular formula C27H24FN3O4S and a molecular weight of 505.57 g/mol. Its IUPAC name is 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID121157281
Molecular FormulaC27H24FN3O4S
Molecular Weight505.57 g/mol
Exact Mass505.15
IUPAC Name3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-21-8-3-10-24(18-21)36(33,34)30-22-9-1-6-20(17-22)27(32)31-15-12-23(13-16-31)35-25-11-2-5-19-7-4-14-29-26(19)25/h1-11,14,17-18,23,30H,12-13,15-16H2
InChIKeySSTBBSYTUHIACF-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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Related Compounds

CID 3929482
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CID 132256724
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CID 1043357
CID 1043357
CID 1101768
CID 1101768
CID 45487320
CID 45487320
CID 49854703
CID 49854703
CID 1087790
CID 1087790
CID 1107142
CID 1107142
CID 1117960
CID 1117960
CID 2210206
CID 2210206
CID 2228538
CID 2228538
CID 4968367
CID 4968367

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 121157281) is 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2)c1)N1CCC(Oc2cccc3cccnc23)CC1.
What is the InChIKey of 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is SSTBBSYTUHIACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4S/c28-21-8-3-10-24(18-21)36(33,34)30-22-9-1-6-20(17-22)27(32)31-15-12-23(13-16-31)35-25-11-2-5-19-7-4-14-29-26(19)25/h1-11,14,17-18,23,30H,12-13,15-16H2.
What are the key properties of 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
3-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 3-fluoro-N-[3-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121157281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).