N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide

C16H16N4O3S — CID 155806724

IUPACN-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C)c1ccnc2c1ccn2C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-19(2)14-8-10-17-15-13(14)9-11-20(15)16(21)18-24(22,23)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyVQUVTKNUNIROJD-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.05
Rot. Bonds3

About N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide

N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 155806724) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID155806724
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC NameN-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C)c1ccnc2c1ccn2C(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N4O3S/c1-19(2)14-8-10-17-15-13(14)9-11-20(15)16(21)18-24(22,23)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
InChIKeyVQUVTKNUNIROJD-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide (CID 155806724) is N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide is CN(C)c1ccnc2c1ccn2C(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is VQUVTKNUNIROJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-19(2)14-8-10-17-15-13(14)9-11-20(15)16(21)18-24(22,23)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21).
What are the key properties of N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide?
N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 155806724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).