N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

C22H21FN4O4S — CID 146220913

IUPACN-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1NS(=O)(=O)c1ccc(CNC(=O)C2Cc3cnccc3N2)cc1
InChIInChI=1S/C22H21FN4O4S/c1-31-21-11-16(23)4-7-19(21)27-32(29,30)17-5-2-14(3-6-17)12-25-22(28)20-10-15-13-24-9-8-18(15)26-20/h2-9,11,13,20,26-27H,10,12H2,1H3,(H,25,28)
InChIKeyDJCIFBMDGHBZIU-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.68
Rot. Bonds7

About N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 146220913) has the molecular formula C22H21FN4O4S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID146220913
Molecular FormulaC22H21FN4O4S
Molecular Weight456.50 g/mol
Exact Mass456.13
IUPAC NameN-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cc(F)ccc1NS(=O)(=O)c1ccc(CNC(=O)C2Cc3cnccc3N2)cc1
InChIInChI=1S/C22H21FN4O4S/c1-31-21-11-16(23)4-7-19(21)27-32(29,30)17-5-2-14(3-6-17)12-25-22(28)20-10-15-13-24-9-8-18(15)26-20/h2-9,11,13,20,26-27H,10,12H2,1H3,(H,25,28)
InChIKeyDJCIFBMDGHBZIU-UHFFFAOYSA-N
XLogP2.68
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 146220913) is N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cc(F)ccc1NS(=O)(=O)c1ccc(CNC(=O)C2Cc3cnccc3N2)cc1.
What is the InChIKey of N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DJCIFBMDGHBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O4S/c1-31-21-11-16(23)4-7-19(21)27-32(29,30)17-5-2-14(3-6-17)12-25-22(28)20-10-15-13-24-9-8-18(15)26-20/h2-9,11,13,20,26-27H,10,12H2,1H3,(H,25,28).
What are the key properties of N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 456.50 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluoro-2-methoxyphenyl)sulfamoyl]phenyl]methyl]-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 146220913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).