N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C23H19FN4O3S — CID 138561002

IUPACN-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C23H19FN4O3S/c24-16-2-1-3-18(12-16)32(30,31)28-17-8-6-14(7-9-17)20-13-21(27-23(29)15-4-5-15)26-22-19(20)10-11-25-22/h1-3,6-13,15,28H,4-5H2,(H2,25,26,27,29)
InChIKeyVYWIBSUOUFRWFY-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.52
Rot. Bonds6

About N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138561002) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
PubChem CID138561002
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC NameN-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)c2cc[nH]c2n1)C1CC1
InChIInChI=1S/C23H19FN4O3S/c24-16-2-1-3-18(12-16)32(30,31)28-17-8-6-14(7-9-17)20-13-21(27-23(29)15-4-5-15)26-22-19(20)10-11-25-22/h1-3,6-13,15,28H,4-5H2,(H2,25,26,27,29)
InChIKeyVYWIBSUOUFRWFY-UHFFFAOYSA-N
XLogP4.52
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138561002) is N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc(NS(=O)(=O)c3cccc(F)c3)cc2)c2cc[nH]c2n1)C1CC1.
What is the InChIKey of N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is VYWIBSUOUFRWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c24-16-2-1-3-18(12-16)32(30,31)28-17-8-6-14(7-9-17)20-13-21(27-23(29)15-4-5-15)26-22-19(20)10-11-25-22/h1-3,6-13,15,28H,4-5H2,(H2,25,26,27,29).
What are the key properties of N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?
N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 450.50 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3-fluorophenyl)sulfonylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).