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

8-Quinolinyl 4-methyl-3-(1-piperidinylsulfonyl)benzoate
CID 3929482
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
Quinolin-8-yl 3-(azepan-1-ylsulfonyl)benzoate
CID 1043357
Quinolin-8-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 1101768
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
CID 45487320
N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]-8-quinolinesulfonamide
CID 49854703
8-Quinolinyl 4-methoxy-3-(4-morpholinylsulfonyl)benzoate
CID 1087790
Quinolin-8-yl 3-piperidin-1-ylsulfonylbenzoate
CID 1107142
8-Quinolyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 1117960
N-(2-methoxy-5-methylphenyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 2210206
4-fluoro-N-[2-(8-quinolinyloxy)ethyl]benzenesulfonamide
CID 2228538
2-benzyl-N-[5-(diethylsulfamoyl)-2-propan-2-yloxyphenyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
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).