4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide

C16H18ClN3O3S — CID 24621380

IUPAC4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-7-9-13(10-8-12)19-24(22,23)14-6-5-11-18-15(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeyOGPVWWLRKOTLIO-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.02
Rot. Bonds6

About 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide

4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide (PubChem CID 24621380) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
PubChem CID24621380
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-7-9-13(10-8-12)19-24(22,23)14-6-5-11-18-15(14)17/h5-11,19H,3-4H2,1-2H3
InChIKeyOGPVWWLRKOTLIO-UHFFFAOYSA-N
XLogP3.02
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.02
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 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide (CID 24621380) is 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The InChIKey is OGPVWWLRKOTLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-7-9-13(10-8-12)19-24(22,23)14-6-5-11-18-15(14)17/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide has a molecular weight of 367.86 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 24621380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).