N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide

C18H17N3O3S — CID 52913078

IUPACN-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide
SMILESCC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C18H17N3O3S/c1-14(15-7-3-2-4-8-15)25(23,24)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-14H,1H3,(H,20,22)
InChIKeyGAARDPHDHJVKSJ-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide

N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913078) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913078
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide
SMILESCC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1
InChIInChI=1S/C18H17N3O3S/c1-14(15-7-3-2-4-8-15)25(23,24)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-14H,1H3,(H,20,22)
InChIKeyGAARDPHDHJVKSJ-UHFFFAOYSA-N
XLogP3.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide (CID 52913078) is N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide is CC(c1ccccc1)S(=O)(=O)n1ccc(NC(=O)c2ccccn2)c1.
What is the InChIKey of N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is GAARDPHDHJVKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-14(15-7-3-2-4-8-15)25(23,24)21-12-10-16(13-21)20-18(22)17-9-5-6-11-19-17/h2-14H,1H3,(H,20,22).
What are the key properties of N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenylethylsulfonyl)pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).