N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide

C19H20ClN3O3S — CID 78884488

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-3-23(4-2)27(25,26)18-13-16(8-9-17(18)20)22-19(24)15-7-5-6-14(12-15)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,24)
InChIKeyOAJYEHXVDLHWOZ-UHFFFAOYSA-N
MW405.91 g/mol
LogP3.69
Rot. Bonds7

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

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide (PubChem CID 78884488) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
PubChem CID78884488
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl
InChIInChI=1S/C19H20ClN3O3S/c1-3-23(4-2)27(25,26)18-13-16(8-9-17(18)20)22-19(24)15-7-5-6-14(12-15)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,24)
InChIKeyOAJYEHXVDLHWOZ-UHFFFAOYSA-N
XLogP3.69
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630897
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzamide
CID 55541960
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]benzamide
CID 47088014
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8873029
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide (CID 78884488) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(CC#N)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide?
The InChIKey is OAJYEHXVDLHWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-3-23(4-2)27(25,26)18-13-16(8-9-17(18)20)22-19(24)15-7-5-6-14(12-15)10-11-21/h5-9,12-13H,3-4,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide has a molecular weight of 405.91 g/mol, XLogP of 3.69, 7 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-(cyanomethyl)benzamide is sourced from PubChem (CID 78884488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).