N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

C26H23N3O4S — CID 57382745

IUPACN-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C26H23N3O4S/c30-26(29-16-23(17-29)33-18-19-6-2-1-3-7-19)21-11-13-22(14-12-21)28-34(31,32)24-10-4-8-20-9-5-15-27-25(20)24/h1-15,23,28H,16-18H2
InChIKeyCXRRMLRMCACVGF-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.08
Rot. Bonds7

About N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide

N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (PubChem CID 57382745) has the molecular formula C26H23N3O4S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
PubChem CID57382745
Molecular FormulaC26H23N3O4S
Molecular Weight473.55 g/mol
Exact Mass473.14
IUPAC NameN-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(OCc2ccccc2)C1
InChIInChI=1S/C26H23N3O4S/c30-26(29-16-23(17-29)33-18-19-6-2-1-3-7-19)21-11-13-22(14-12-21)28-34(31,32)24-10-4-8-20-9-5-15-27-25(20)24/h1-15,23,28H,16-18H2
InChIKeyCXRRMLRMCACVGF-UHFFFAOYSA-N
XLogP4.08
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide
CID 5045370
N-[4-[[4-(2-methoxyphenyl)-1-piperazinyl]carbonyl]phenyl]-8-quinolinesulfonamide
CID 49854703
N-[4-(3-benzyl-3-hydroxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 57383377
N-[4-[4-(2,3-difluorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 78210266
N-cyclohexyl-4-[(8-quinolinylsulfonyl)amino]benzamide
CID 1287296
N-[4-(1-piperidinylcarbonyl)phenyl]-8-quinolinesulfonamide
CID 1295703
N-{4-[(4-methyl-1-piperidinyl)carbonyl]phenyl}-8-quinolinesulfonamide
CID 2946654
N-(4-methylphenyl)-4-[(8-quinolinylsulfonyl)amino]benzamide
CID 3556203
N-(2-methoxy-5-methylphenyl)-4-[(quinolin-8-ylsulfonyl)amino]benzamide
CID 5045494
Ethyl 3-[(1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl)amino]benzoate
CID 5307116
Methyl 4-(quinoline-8-sulfonamido)benzoate
CID 694416
N-[2-methyl-4-(3-phenoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 57382743

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide (CID 57382745) is N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CC(OCc2ccccc2)C1.
What is the InChIKey of N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
The InChIKey is CXRRMLRMCACVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4S/c30-26(29-16-23(17-29)33-18-19-6-2-1-3-7-19)21-11-13-22(14-12-21)28-34(31,32)24-10-4-8-20-9-5-15-27-25(20)24/h1-15,23,28H,16-18H2.
What are the key properties of N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide?
N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide has a molecular weight of 473.55 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylmethoxyazetidine-1-carbonyl)phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 57382745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).