N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

C17H13F2N3O3S — CID 52913885

IUPACN-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2F)c1)c1ccccn1
InChIInChI=1S/C17H13F2N3O3S/c18-13-5-4-12(15(19)9-13)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)
InChIKeyHLQCLHQQWYDDAF-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.79
Rot. Bonds5

About N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide

N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (PubChem CID 52913885) has the molecular formula C17H13F2N3O3S and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
PubChem CID52913885
Molecular FormulaC17H13F2N3O3S
Molecular Weight377.37 g/mol
Exact Mass377.06
IUPAC NameN-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2F)c1)c1ccccn1
InChIInChI=1S/C17H13F2N3O3S/c18-13-5-4-12(15(19)9-13)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23)
InChIKeyHLQCLHQQWYDDAF-UHFFFAOYSA-N
XLogP2.79
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide (CID 52913885) is N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is O=C(Nc1ccn(S(=O)(=O)Cc2ccc(F)cc2F)c1)c1ccccn1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
The InChIKey is HLQCLHQQWYDDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O3S/c18-13-5-4-12(15(19)9-13)11-26(24,25)22-8-6-14(10-22)21-17(23)16-3-1-2-7-20-16/h1-10H,11H2,(H,21,23).
What are the key properties of N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide?
N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methylsulfonyl]pyrrol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 52913885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).