6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

C16H16ClN3O3S — CID 4297689

IUPAC6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O3S/c17-15-7-6-12(11-18-15)16(21)19-13-4-3-5-14(10-13)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyRQFKCIVQJJVPFA-UHFFFAOYSA-N
MW365.84 g/mol
LogP2.77
Rot. Bonds4

About 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide

6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (PubChem CID 4297689) has the molecular formula C16H16ClN3O3S and a molecular weight of 365.84 g/mol. Its IUPAC name is 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
PubChem CID4297689
Molecular FormulaC16H16ClN3O3S
Molecular Weight365.84 g/mol
Exact Mass365.06
IUPAC Name6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)nc1
InChIInChI=1S/C16H16ClN3O3S/c17-15-7-6-12(11-18-15)16(21)19-13-4-3-5-14(10-13)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyRQFKCIVQJJVPFA-UHFFFAOYSA-N
XLogP2.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide (CID 4297689) is 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
The InChIKey is RQFKCIVQJJVPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S/c17-15-7-6-12(11-18-15)16(21)19-13-4-3-5-14(10-13)24(22,23)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21).
What are the key properties of 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide?
6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide has a molecular weight of 365.84 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4297689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).