N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide

C26H22FN3O3S — CID 22398726

IUPACN-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1C1CC1)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H22FN3O3S/c27-20-12-13-23(30-34(32,33)24-9-3-6-18-7-4-14-28-25(18)24)22(15-20)26(31)29-16-19-5-1-2-8-21(19)17-10-11-17/h1-9,12-15,17,30H,10-11,16H2,(H,29,31)
InChIKeyUQLNQSBKVKGOMU-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.98
Rot. Bonds7

About N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide

N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide (PubChem CID 22398726) has the molecular formula C26H22FN3O3S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide
PubChem CID22398726
Molecular FormulaC26H22FN3O3S
Molecular Weight475.55 g/mol
Exact Mass475.14
IUPAC NameN-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide
SMILESO=C(NCc1ccccc1C1CC1)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C26H22FN3O3S/c27-20-12-13-23(30-34(32,33)24-9-3-6-18-7-4-14-28-25(18)24)22(15-20)26(31)29-16-19-5-1-2-8-21(19)17-10-11-17/h1-9,12-15,17,30H,10-11,16H2,(H,29,31)
InChIKeyUQLNQSBKVKGOMU-UHFFFAOYSA-N
XLogP4.98
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(quinolin-8-ylsulfonylamino)benzoic acid
CID 22398672
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
5-fluoro-N-[1-[2-(2-iminoethyl)phenyl]propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 163644939
N-cyclohexyl-2-(quinolin-8-ylsulfonylamino)benzamide
CID 7573778
7-fluoro-N-(naphthalen-1-ylmethyl)quinoxaline-5-carboxamide
CID 112845243
2-[5-[2-(quinolin-8-ylsulfonylamino)phenyl]pentyl]benzoic acid
CID 11525761
2-fluoro-N-(quinolin-8-ylmethyl)pyridine-3-carboxamide
CID 107358803
N-[(2-hydroxyphenyl)methyl]quinoline-8-carboxamide
CID 115598832
N-(2-fluoro-4-iodophenyl)quinoline-8-sulfonamide
CID 5007550
5-fluoro-2-[(8-fluoroquinolin-5-yl)sulfonylamino]benzoic acid
CID 55676538
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
5-fluoro-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;5-methoxy-N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;5-methoxy-N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide;N-[(1S)-1-phenylpropyl]-2-(pyridin-2-ylsulfonylamino)benzamide;N-(1-phenylprop-2-ynyl)-2-(quinolin-8-ylsulfonylamino)benzamide
CID 158914086

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide?
The IUPAC name of N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide (CID 22398726) is N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide.
What is the SMILES notation for N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide?
The canonical SMILES for N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide is O=C(NCc1ccccc1C1CC1)c1cc(F)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide?
The InChIKey is UQLNQSBKVKGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3S/c27-20-12-13-23(30-34(32,33)24-9-3-6-18-7-4-14-28-25(18)24)22(15-20)26(31)29-16-19-5-1-2-8-21(19)17-10-11-17/h1-9,12-15,17,30H,10-11,16H2,(H,29,31).
What are the key properties of N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide?
N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide has a molecular weight of 475.55 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylphenyl)methyl]-5-fluoro-2-(quinolin-8-ylsulfonylamino)benzamide is sourced from PubChem (CID 22398726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).