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

C23H24ClN3O3S2 — CID 55684932

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(SCc3cccnc3)cc2)ccc1Cl
InChIInChI=1S/C23H24ClN3O3S2/c1-3-27(4-2)32(29,30)22-14-19(9-12-21(22)24)26-23(28)18-7-10-20(11-8-18)31-16-17-6-5-13-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyYPUZQGIAFCKCEH-UHFFFAOYSA-N
MW490.05 g/mol
LogP5.31
Rot. Bonds9

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

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide (PubChem CID 55684932) has the molecular formula C23H24ClN3O3S2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
PubChem CID55684932
Molecular FormulaC23H24ClN3O3S2
Molecular Weight490.05 g/mol
Exact Mass489.09
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(SCc3cccnc3)cc2)ccc1Cl
InChIInChI=1S/C23H24ClN3O3S2/c1-3-27(4-2)32(29,30)22-14-19(9-12-21(22)24)26-23(28)18-7-10-20(11-8-18)31-16-17-6-5-13-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28)
InChIKeyYPUZQGIAFCKCEH-UHFFFAOYSA-N
XLogP5.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]prop-2-enamide
CID 16577485
N-[2-chloro-5-[[4-(pyridin-3-ylmethylsulfanyl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 46669143
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
6-chloro-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 36542695

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide (CID 55684932) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(SCc3cccnc3)cc2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The InChIKey is YPUZQGIAFCKCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3S2/c1-3-27(4-2)32(29,30)22-14-19(9-12-21(22)24)26-23(28)18-7-10-20(11-8-18)31-16-17-6-5-13-25-15-17/h5-15H,3-4,16H2,1-2H3,(H,26,28).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide has a molecular weight of 490.05 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55684932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).