1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide

C20H15N3O3S — CID 51003501

IUPAC1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c24-20(22-16-9-3-1-4-10-16)18-14-15-8-7-13-21-19(15)23(18)27(25,26)17-11-5-2-6-12-17/h1-14H,(H,22,24)
InChIKeyHFEUXIWLSNTCKQ-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.53
Rot. Bonds4

About 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide

1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 51003501) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID51003501
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccccc1)c1cc2cccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H15N3O3S/c24-20(22-16-9-3-1-4-10-16)18-14-15-8-7-13-21-19(15)23(18)27(25,26)17-11-5-2-6-12-17/h1-14H,(H,22,24)
InChIKeyHFEUXIWLSNTCKQ-UHFFFAOYSA-N
XLogP3.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide (CID 51003501) is 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccccc1)c1cc2cccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HFEUXIWLSNTCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c24-20(22-16-9-3-1-4-10-16)18-14-15-8-7-13-21-19(15)23(18)27(25,26)17-11-5-2-6-12-17/h1-14H,(H,22,24).
What are the key properties of 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide?
1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-phenylpyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 51003501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).