2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide

C17H16F2N4O3S — CID 70683665

IUPAC2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc[nH]c3c2)c1F
InChIInChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-11(18)15(16(13)19)17(24)22-10-8-14-12(21-9-10)5-6-20-14/h3-6,8-9,20,23H,2,7H2,1H3,(H,22,24)
InChIKeyHCHKYWNVGLKUIJ-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.25
Rot. Bonds6

About 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide

2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide (PubChem CID 70683665) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide
PubChem CID70683665
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC Name2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc[nH]c3c2)c1F
InChIInChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-11(18)15(16(13)19)17(24)22-10-8-14-12(21-9-10)5-6-20-14/h3-6,8-9,20,23H,2,7H2,1H3,(H,22,24)
InChIKeyHCHKYWNVGLKUIJ-UHFFFAOYSA-N
XLogP3.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide?
The IUPAC name of 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide (CID 70683665) is 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide?
The canonical SMILES for 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide is CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3cc[nH]c3c2)c1F.
What is the InChIKey of 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide?
The InChIKey is HCHKYWNVGLKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-2-7-27(25,26)23-13-4-3-11(18)15(16(13)19)17(24)22-10-8-14-12(21-9-10)5-6-20-14/h3-6,8-9,20,23H,2,7H2,1H3,(H,22,24).
What are the key properties of 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide?
2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide has a molecular weight of 394.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-(propylsulfonylamino)-N-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 70683665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).