5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C21H17FN4O3S — CID 154872773

IUPAC5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C21H17FN4O3S/c1-13-6-7-16(30(28,29)26-19-5-3-2-4-18(19)22)11-17(13)21(27)25-15-10-14-8-9-23-20(14)24-12-15/h2-12,26H,1H3,(H,23,24)(H,25,27)
InChIKeyUALRSCBMQSCPAD-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.06
Rot. Bonds5

About 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 154872773) has the molecular formula C21H17FN4O3S and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID154872773
Molecular FormulaC21H17FN4O3S
Molecular Weight424.46 g/mol
Exact Mass424.10
IUPAC Name5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cnc2[nH]ccc2c1
InChIInChI=1S/C21H17FN4O3S/c1-13-6-7-16(30(28,29)26-19-5-3-2-4-18(19)22)11-17(13)21(27)25-15-10-14-8-9-23-20(14)24-12-15/h2-12,26H,1H3,(H,23,24)(H,25,27)
InChIKeyUALRSCBMQSCPAD-UHFFFAOYSA-N
XLogP4.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 154872773) is 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)Nc1cnc2[nH]ccc2c1.
What is the InChIKey of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is UALRSCBMQSCPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3S/c1-13-6-7-16(30(28,29)26-19-5-3-2-4-18(19)22)11-17(13)21(27)25-15-10-14-8-9-23-20(14)24-12-15/h2-12,26H,1H3,(H,23,24)(H,25,27).
What are the key properties of 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 424.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 154872773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).