N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

C21H18N4O3S — CID 67182767

IUPACN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyRVKVEVSWJMZUOP-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.50
Rot. Bonds4

About N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide

N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (PubChem CID 67182767) has the molecular formula C21H18N4O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
PubChem CID67182767
Molecular FormulaC21H18N4O3S
Molecular Weight406.47 g/mol
Exact Mass406.11
IUPAC NameN-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1
InChIInChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28)
InChIKeyRVKVEVSWJMZUOP-UHFFFAOYSA-N
XLogP3.50
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide (CID 67182767) is N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc3[nH]c(-c4cccc(S(N)(=O)=O)c4)cc23)c1.
What is the InChIKey of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
The InChIKey is RVKVEVSWJMZUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S/c1-13(26)24-16-6-2-4-14(10-16)18-8-9-23-21-19(18)12-20(25-21)15-5-3-7-17(11-15)29(22,27)28/h2-12H,1H3,(H,23,25)(H,24,26)(H2,22,27,28).
What are the key properties of N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide?
N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide has a molecular weight of 406.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]phenyl]acetamide is sourced from PubChem (CID 67182767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).