N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide

C19H13ClN2O3S — CID 164611769

IUPACN-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3occc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H13ClN2O3S/c20-19-17(22-26(23,24)16-4-2-1-3-5-16)11-15(12-21-19)13-6-7-18-14(10-13)8-9-25-18/h1-12,22H
InChIKeyLUQSMIAOAMKENL-UHFFFAOYSA-N
MW384.84 g/mol
LogP4.95
Rot. Bonds4

About N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide

N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (PubChem CID 164611769) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
PubChem CID164611769
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC NameN-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccc3occc3c2)cnc1Cl)c1ccccc1
InChIInChI=1S/C19H13ClN2O3S/c20-19-17(22-26(23,24)16-4-2-1-3-5-16)11-15(12-21-19)13-6-7-18-14(10-13)8-9-25-18/h1-12,22H
InChIKeyLUQSMIAOAMKENL-UHFFFAOYSA-N
XLogP4.95
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 54.95
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 N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide (CID 164611769) is N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccc3occc3c2)cnc1Cl)c1ccccc1.
What is the InChIKey of N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
The InChIKey is LUQSMIAOAMKENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c20-19-17(22-26(23,24)16-4-2-1-3-5-16)11-15(12-21-19)13-6-7-18-14(10-13)8-9-25-18/h1-12,22H.
What are the key properties of N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide?
N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide has a molecular weight of 384.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-5-yl)-2-chloro-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 164611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).