2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C17H16Cl2N4O3S — CID 56675551

IUPAC2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C17H16Cl2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
InChIKeyHLYNXCOGNBUCJM-UHFFFAOYSA-N
MW427.31 g/mol
LogP4.27
Rot. Bonds6

About 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 56675551) has the molecular formula C17H16Cl2N4O3S and a molecular weight of 427.31 g/mol. Its IUPAC name is 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID56675551
Molecular FormulaC17H16Cl2N4O3S
Molecular Weight427.31 g/mol
Exact Mass426.03
IUPAC Name2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl
InChIInChI=1S/C17H16Cl2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24)
InChIKeyHLYNXCOGNBUCJM-UHFFFAOYSA-N
XLogP4.27
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 56675551) is 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]ccc3c2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is HLYNXCOGNBUCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O3S/c1-2-7-27(25,26)23-13-4-3-12(18)14(15(13)19)17(24)22-11-8-10-5-6-20-16(10)21-9-11/h3-6,8-9,23H,2,7H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 427.31 g/mol, XLogP of 4.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(propylsulfonylamino)-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 56675551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).