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

C27H24FN3O4S — CID 121157276

IUPAC2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2F)cc1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-23-7-1-2-9-25(23)36(33,34)30-21-12-10-20(11-13-21)27(32)31-17-14-22(15-18-31)35-24-8-3-5-19-6-4-16-29-26(19)24/h1-13,16,22,30H,14-15,17-18H2
InChIKeyIUBGNSRXHGMTPT-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.86
Rot. Bonds6

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

2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 121157276) has the molecular formula C27H24FN3O4S and a molecular weight of 505.57 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID121157276
Molecular FormulaC27H24FN3O4S
Molecular Weight505.57 g/mol
Exact Mass505.15
IUPAC Name2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2ccccc2F)cc1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C27H24FN3O4S/c28-23-7-1-2-9-25(23)36(33,34)30-21-12-10-20(11-13-21)27(32)31-17-14-22(15-18-31)35-24-8-3-5-19-6-4-16-29-26(19)24/h1-13,16,22,30H,14-15,17-18H2
InChIKeyIUBGNSRXHGMTPT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-[(2-fluoro-6-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635207
N-[4-[4-[1-(2-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404667
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
N-[4-[4-[(2,6-difluorophenyl)methyl]-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90418920
N-[4-[4-[2-(trifluoromethoxy)phenyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635215
2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide
CID 90629013
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
N-[4-[4-(2-fluoro-3-iodobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 163609644
bis(N-[4-(piperazin-4-ium-1-carbonyl)phenyl]quinoline-8-sulfonamide);sulfate;trihydrate
CID 169133059
oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
[1-[4-(quinolin-8-ylsulfonylamino)benzoyl]azetidin-3-yl] pyridine-2-carboxylate
CID 57383378
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide (CID 121157276) is 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccc(NS(=O)(=O)c2ccccc2F)cc1)N1CCC(Oc2cccc3cccnc23)CC1.
What is the InChIKey of 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is IUBGNSRXHGMTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O4S/c28-23-7-1-2-9-25(23)36(33,34)30-21-12-10-20(11-13-21)27(32)31-17-14-22(15-18-31)35-24-8-3-5-19-6-4-16-29-26(19)24/h1-13,16,22,30H,14-15,17-18H2.
What are the key properties of 2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide?
2-fluoro-N-[4-(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-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121157276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).