N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

C14H10ClN3O3S — CID 155806721

IUPACN-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)n1ccc2cccnc21
InChIInChI=1S/C14H10ClN3O3S/c15-11-3-5-12(6-4-11)22(20,21)17-14(19)18-9-7-10-2-1-8-16-13(10)18/h1-9H,(H,17,19)
InChIKeyDSOGRVXFFHERIV-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.64
Rot. Bonds2

About N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide

N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 155806721) has the molecular formula C14H10ClN3O3S and a molecular weight of 335.77 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID155806721
Molecular FormulaC14H10ClN3O3S
Molecular Weight335.77 g/mol
Exact Mass335.01
IUPAC NameN-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)n1ccc2cccnc21
InChIInChI=1S/C14H10ClN3O3S/c15-11-3-5-12(6-4-11)22(20,21)17-14(19)18-9-7-10-2-1-8-16-13(10)18/h1-9H,(H,17,19)
InChIKeyDSOGRVXFFHERIV-UHFFFAOYSA-N
XLogP2.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide (CID 155806721) is N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)n1ccc2cccnc21.
What is the InChIKey of N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is DSOGRVXFFHERIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O3S/c15-11-3-5-12(6-4-11)22(20,21)17-14(19)18-9-7-10-2-1-8-16-13(10)18/h1-9H,(H,17,19).
What are the key properties of N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide?
N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 155806721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).