N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide

C27H24FN5O4S — CID 59635213

IUPACN-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H24FN5O4S/c1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h2-11,16-17,31H,12-15H2,1H3
InChIKeyAHOUVKJIZVMXEL-UHFFFAOYSA-N
MW533.59 g/mol
LogP3.48
Rot. Bonds5

About N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide

N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide (PubChem CID 59635213) has the molecular formula C27H24FN5O4S and a molecular weight of 533.59 g/mol. Its IUPAC name is N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide
PubChem CID59635213
Molecular FormulaC27H24FN5O4S
Molecular Weight533.59 g/mol
Exact Mass533.15
IUPAC NameN-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide
SMILESCc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C27H24FN5O4S/c1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h2-11,16-17,31H,12-15H2,1H3
InChIKeyAHOUVKJIZVMXEL-UHFFFAOYSA-N
XLogP3.48
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.59
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Mitapivat
CID 59634741
Mitapivat Sulfate
CID 134693700
N-(4-{[4-(Pyrazin-2-Yl)piperazin-1-Yl]carbonyl}phenyl)quinoline-8-Sulfonamide
CID 49854919
Losulazine
CID 54750
[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 72705461
N-[4-[4-(2,3-difluorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 78210266
6,8-dimethyl-2-pyridin-2-yl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1257030
6-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 1261894
N-cyclohexyl-4-(quinolin-8-ylsulfonylamino)benzamide
CID 1287296
N-[4-(1-piperidinylcarbonyl)phenyl]-8-quinolinesulfonamide
CID 1295703
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 2946654

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide?
The IUPAC name of N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide (CID 59635213) is N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide is Cc1cc(C(=O)N2CCN(C(=O)c3cc(F)ccn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide?
The InChIKey is AHOUVKJIZVMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O4S/c1-18-16-20(26(34)32-12-14-33(15-13-32)27(35)23-17-21(28)9-11-29-23)7-8-22(18)31-38(36,37)24-6-2-4-19-5-3-10-30-25(19)24/h2-11,16-17,31H,12-15H2,1H3.
What are the key properties of N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide?
N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide has a molecular weight of 533.59 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 59635213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).