N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide

C18H18ClN3O3S — CID 9101511

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(8-9-16(17)19)21-18(23)14-7-5-6-13(10-14)12-20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyCHTNSDLBQCKHJC-UHFFFAOYSA-N
MW391.88 g/mol
LogP3.49
Rot. Bonds6

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide (PubChem CID 9101511) has the molecular formula C18H18ClN3O3S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
PubChem CID9101511
Molecular FormulaC18H18ClN3O3S
Molecular Weight391.88 g/mol
Exact Mass391.08
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl
InChIInChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(8-9-16(17)19)21-18(23)14-7-5-6-13(10-14)12-20/h5-11H,3-4H2,1-2H3,(H,21,23)
InChIKeyCHTNSDLBQCKHJC-UHFFFAOYSA-N
XLogP3.49
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
CID 9328320
3-cyano-N-[3-(dimethylsulfamoyl)-4-methylphenyl]benzamide
CID 8893485
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55541960
N-(4-chlorophenyl)-3-cyanobenzamide
CID 1475891
4-chloro-N-(3-cyanothiophen-2-yl)-3-(diethylsulfamoyl)benzamide
CID 8914920

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide (CID 9101511) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide?
The InChIKey is CHTNSDLBQCKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3S/c1-3-22(4-2)26(24,25)17-11-15(8-9-16(17)19)21-18(23)14-7-5-6-13(10-14)12-20/h5-11H,3-4H2,1-2H3,(H,21,23).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide has a molecular weight of 391.88 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide is sourced from PubChem (CID 9101511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).