4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide

C16H18ClN3O3S — CID 2683843

IUPAC4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-5-7-13(8-6-12)19-24(22,23)14-9-10-15(17)18-11-14/h5-11,19H,3-4H2,1-2H3
InChIKeyNZZRILCSDBGLMC-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.02
Rot. Bonds6

About 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide

4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide (PubChem CID 2683843) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
PubChem CID2683843
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-5-7-13(8-6-12)19-24(22,23)14-9-10-15(17)18-11-14/h5-11,19H,3-4H2,1-2H3
InChIKeyNZZRILCSDBGLMC-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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Related Compounds

4-[(2-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide
CID 24621380
N,N-diethyl-4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47516560
N,N-diethyl-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)benzamide
CID 7938792
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-[4-[(6-chloro-3-pyridinyl)sulfonylamino]phenyl]-2,2,2-trifluoroacetamide
CID 110303473
6-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 39836918
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N,N-diethyl-4-(propylsulfonylamino)benzamide
CID 60640578
N-ethyl-N-(2-hydroxyethyl)-4-(phenylsulfamoyl)benzamide
CID 78796066
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 31832383
4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N,N-diethylbenzamide
CID 51177921
6-chloro-N-ethyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 43243478

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide (CID 2683843) is 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
The InChIKey is NZZRILCSDBGLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-3-20(4-2)16(21)12-5-7-13(8-6-12)19-24(22,23)14-9-10-15(17)18-11-14/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 4-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide?
4-[(6-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-[(6-chloro-3-pyridinyl)sulfonylamino]-N,N-diethylbenzamide is sourced from PubChem (CID 2683843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).