N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide

C16H13ClN2O4S — CID 71882580

IUPACN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc(Cl)nc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H13ClN2O4S/c17-15-6-5-11(8-18-15)10-24(21,22)19-16(20)13-7-12-3-1-2-4-14(12)23-9-13/h1-8H,9-10H2,(H,19,20)
InChIKeyOBEQZXUTSFBJDQ-UHFFFAOYSA-N
MW364.81 g/mol
LogP2.16
Rot. Bonds4

About N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide

N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide (PubChem CID 71882580) has the molecular formula C16H13ClN2O4S and a molecular weight of 364.81 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide
PubChem CID71882580
Molecular FormulaC16H13ClN2O4S
Molecular Weight364.81 g/mol
Exact Mass364.03
IUPAC NameN-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccc(Cl)nc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H13ClN2O4S/c17-15-6-5-11(8-18-15)10-24(21,22)19-16(20)13-7-12-3-1-2-4-14(12)23-9-13/h1-8H,9-10H2,(H,19,20)
InChIKeyOBEQZXUTSFBJDQ-UHFFFAOYSA-N
XLogP2.16
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide (CID 71882580) is N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide is O=C(NS(=O)(=O)Cc1ccc(Cl)nc1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide?
The InChIKey is OBEQZXUTSFBJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4S/c17-15-6-5-11(8-18-15)10-24(21,22)19-16(20)13-7-12-3-1-2-4-14(12)23-9-13/h1-8H,9-10H2,(H,19,20).
What are the key properties of N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide?
N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide has a molecular weight of 364.81 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methylsulfonyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 71882580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).