2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide

C16H16ClN3O3S2 — CID 26187229

IUPAC2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)12-5-6-14(17)13(9-12)15(21)19-16-11(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
InChIKeyJPSODXBYRKZRKC-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.56
Rot. Bonds6

About 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide

2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide (PubChem CID 26187229) has the molecular formula C16H16ClN3O3S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
PubChem CID26187229
Molecular FormulaC16H16ClN3O3S2
Molecular Weight397.91 g/mol
Exact Mass397.03
IUPAC Name2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)12-5-6-14(17)13(9-12)15(21)19-16-11(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
InChIKeyJPSODXBYRKZRKC-UHFFFAOYSA-N
XLogP3.56
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920
methyl 2-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxylate
CID 55812102
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-cyanophenyl)benzamide
CID 55381133
N-(4-carbamoylphenyl)-2-chloro-5-(diethylsulfamoyl)benzamide
CID 16610550
2-chloro-5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 26894506
N-[(2R)-butan-2-yl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2478774
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
N-tert-butyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 2404438
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
CID 2425482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide (CID 26187229) is 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2sccc2C#N)c1.
What is the InChIKey of 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide?
The InChIKey is JPSODXBYRKZRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)12-5-6-14(17)13(9-12)15(21)19-16-11(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide?
2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide has a molecular weight of 397.91 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 26187229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).