4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide

C18H22ClN3O3S — CID 75469584

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-5-22(6-2)26(24,25)16-11-14(7-8-15(16)19)18(23)21-17-10-12(3)9-13(4)20-17/h7-11H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyBIFVJGBERVBXGC-UHFFFAOYSA-N
MW395.91 g/mol
LogP3.63
Rot. Bonds6

About 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 75469584) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID75469584
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1Cl
InChIInChI=1S/C18H22ClN3O3S/c1-5-22(6-2)26(24,25)16-11-14(7-8-15(16)19)18(23)21-17-10-12(3)9-13(4)20-17/h7-11H,5-6H2,1-4H3,(H,20,21,23)
InChIKeyBIFVJGBERVBXGC-UHFFFAOYSA-N
XLogP3.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
2-chloro-N,N-diethyl-5-[[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 135534211
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
N-(2-benzamidoethyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 38202373
4-chloro-N-(4,6-dimethyl-2-pyridinyl)-3-nitrobenzamide
CID 3565218
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
methyl 2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]-6-methylbenzoate
CID 17475289

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide (CID 75469584) is 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C)n2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is BIFVJGBERVBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-5-22(6-2)26(24,25)16-11-14(7-8-15(16)19)18(23)21-17-10-12(3)9-13(4)20-17/h7-11H,5-6H2,1-4H3,(H,20,21,23).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 395.91 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 75469584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).