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

C16H16ClN3O3S2 — CID 8914920

IUPAC4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)14-9-11(5-6-13(14)17)15(21)19-16-12(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
InChIKeySRZBDMNJFYVZMQ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.56
Rot. Bonds6

About 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide

4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide (PubChem CID 8914920) has the molecular formula C16H16ClN3O3S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
PubChem CID8914920
Molecular FormulaC16H16ClN3O3S2
Molecular Weight397.91 g/mol
Exact Mass397.03
IUPAC Name4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl
InChIInChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)14-9-11(5-6-13(14)17)15(21)19-16-12(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
InChIKeySRZBDMNJFYVZMQ-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

2-chloro-N-(3-cyanothiophen-2-yl)-5-(diethylsulfamoyl)benzamide
CID 26187229
2-[[4-chloro-3-(diethylsulfamoyl)benzoyl]amino]thiophene-3-carboxamide
CID 2425482
4-chloro-N-[1-(4-cyanophenyl)ethyl]-3-(diethylsulfamoyl)benzamide
CID 55594718
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-(3-cyanothiophen-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2105110
4-chloro-3-(diethylsulfamoyl)-N-(2-propan-2-ylphenyl)benzamide
CID 2678518
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-(diethylsulfamoyl)benzamide
CID 56581135
4-[butyl(methyl)sulfamoyl]-N-(3-cyanothiophen-2-yl)benzamide
CID 2137686
4-chloro-3-(diethylsulfamoyl)benzoic acid
CID 767898
N-(3-cyanothiophen-2-yl)-3,4-dimethylbenzamide
CID 2137658
N-(3-cyanothiophen-2-yl)-4-ethylbenzamide
CID 8914983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide (CID 8914920) is 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sccc2C#N)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide?
The InChIKey is SRZBDMNJFYVZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)14-9-11(5-6-13(14)17)15(21)19-16-12(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide?
4-chloro-N-(3-cyanothiophen-2-yl)-3-(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 4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 8914920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).