2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide

C16H14ClN3O3S — CID 2707587

IUPAC2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-6-7-15(17)14(9-13)16(21)19-12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,21)
InChIKeyJURQTYHZMOHALT-UHFFFAOYSA-N
MW363.83 g/mol
LogP2.71
Rot. Bonds4

About 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide

2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide (PubChem CID 2707587) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
PubChem CID2707587
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-6-7-15(17)14(9-13)16(21)19-12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,21)
InChIKeyJURQTYHZMOHALT-UHFFFAOYSA-N
XLogP2.71
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(dimethylsulfamoyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1310378
2-chloro-N-(3-chloro-4-methylphenyl)-5-(dimethylsulfamoyl)benzamide
CID 2665830
1-(3-cyanophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 8614863
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
N-(2-acetylphenyl)-2-chloro-5-(dimethylsulfamoyl)benzamide
CID 4800969
2-chloro-N-(4-cyanophenyl)-5-methylsulfonylbenzamide
CID 26289868
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815
2-chloro-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-(dimethylsulfamoyl)benzamide
CID 55727742
5-amino-2,3-dichloro-N-(3-cyanophenyl)benzamide
CID 107183181
2-chloro-5-(dimethylsulfamoyl)-N-(2-iodophenyl)benzamide
CID 3413626
N-(4-chlorophenyl)-5-(dimethylsulfamoyl)-2-iodobenzamide
CID 55771427
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(3-cyanophenyl)acetamide
CID 100797392

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide (CID 2707587) is 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide?
The InChIKey is JURQTYHZMOHALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c1-20(2)24(22,23)13-6-7-15(17)14(9-13)16(21)19-12-5-3-4-11(8-12)10-18/h3-9H,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide?
2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide has a molecular weight of 363.83 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanophenyl)-5-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2707587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).