N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C18H18N4O4S — CID 53325328

IUPACN-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C18H18N4O4S/c23-18(16-11-13-3-2-6-19-17(13)21-16)20-14-4-1-5-15(12-14)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23)
InChIKeyFFXIXAVXWAOIBJ-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.84
Rot. Bonds4

About N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 53325328) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID53325328
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2cccnc2[nH]1
InChIInChI=1S/C18H18N4O4S/c23-18(16-11-13-3-2-6-19-17(13)21-16)20-14-4-1-5-15(12-14)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23)
InChIKeyFFXIXAVXWAOIBJ-UHFFFAOYSA-N
XLogP1.84
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 53325328) is N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc2cccnc2[nH]1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is FFXIXAVXWAOIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-18(16-11-13-3-2-6-19-17(13)21-16)20-14-4-1-5-15(12-14)27(24,25)22-7-9-26-10-8-22/h1-6,11-12H,7-10H2,(H,19,21)(H,20,23).
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 53325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).