3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide

C27H18F2N4O3S — CID 59860149

IUPAC3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)c1
InChIInChI=1S/C27H18F2N4O3S/c28-20-5-7-26(24(29)13-20)37(35,36)33-21-11-19(14-31-15-21)16-4-6-25-23(12-16)22(8-9-32-25)17-2-1-3-18(10-17)27(30)34/h1-15,33H,(H2,30,34)
InChIKeyLKRWPKQNOQYBQM-UHFFFAOYSA-N
MW516.53 g/mol
LogP5.14
Rot. Bonds6

About 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide

3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide (PubChem CID 59860149) has the molecular formula C27H18F2N4O3S and a molecular weight of 516.53 g/mol. Its IUPAC name is 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide.

Molecular Properties

Compound Name3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide
PubChem CID59860149
Molecular FormulaC27H18F2N4O3S
Molecular Weight516.53 g/mol
Exact Mass516.11
IUPAC Name3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide
SMILESNC(=O)c1cccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)c1
InChIInChI=1S/C27H18F2N4O3S/c28-20-5-7-26(24(29)13-20)37(35,36)33-21-11-19(14-31-15-21)16-4-6-25-23(12-16)22(8-9-32-25)17-2-1-3-18(10-17)27(30)34/h1-15,33H,(H2,30,34)
InChIKeyLKRWPKQNOQYBQM-UHFFFAOYSA-N
XLogP5.14
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.53
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide?
The IUPAC name of 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide (CID 59860149) is 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide.
What is the SMILES notation for 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide?
The canonical SMILES for 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide is NC(=O)c1cccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)c1.
What is the InChIKey of 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide?
The InChIKey is LKRWPKQNOQYBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F2N4O3S/c28-20-5-7-26(24(29)13-20)37(35,36)33-21-11-19(14-31-15-21)16-4-6-25-23(12-16)22(8-9-32-25)17-2-1-3-18(10-17)27(30)34/h1-15,33H,(H2,30,34).
What are the key properties of 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide?
3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide has a molecular weight of 516.53 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-3-pyridinyl]quinolin-4-yl]benzamide is sourced from PubChem (CID 59860149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).