2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide

C16H18ClN3O3S — CID 1087718

IUPAC2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)24(22,23)13-7-8-15(17)14(10-13)16(21)19-12-6-5-9-18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyBOJSUSZGNNEXEF-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.02
Rot. Bonds6

About 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide

2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide (PubChem CID 1087718) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide
PubChem CID1087718
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C16H18ClN3O3S/c1-3-20(4-2)24(22,23)13-7-8-15(17)14(10-13)16(21)19-12-6-5-9-18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21)
InChIKeyBOJSUSZGNNEXEF-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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide (CID 1087718) is 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide?
The InChIKey is BOJSUSZGNNEXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-3-20(4-2)24(22,23)13-7-8-15(17)14(10-13)16(21)19-12-6-5-9-18-11-12/h5-11H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide?
2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide 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 2-chloro-5-(diethylsulfamoyl)-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 1087718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).