N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

C23H23ClN4O4S — CID 55630897

IUPACN-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)ccc1Cl
InChIInChI=1S/C23H23ClN4O4S/c1-3-28(4-2)33(31,32)21-14-19(10-11-20(21)24)27-22(29)16-7-5-9-18(13-16)26-23(30)17-8-6-12-25-15-17/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRTYPXEGQGPDVJE-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.27
Rot. Bonds8

About N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55630897) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55630897
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC NameN-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)ccc1Cl
InChIInChI=1S/C23H23ClN4O4S/c1-3-28(4-2)33(31,32)21-14-19(10-11-20(21)24)27-22(29)16-7-5-9-18(13-16)26-23(30)17-8-6-12-25-15-17/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyRTYPXEGQGPDVJE-UHFFFAOYSA-N
XLogP4.27
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(pyridin-3-ylmethoxy)benzamide
CID 55770704
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55684932
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-cyanobenzamide
CID 9101511
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-(cyanomethyl)benzamide
CID 78884488
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 76858101
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
4-chloro-3-(diethylsulfamoyl)-N-(3-methylsulfanylphenyl)benzamide
CID 2665643
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-(4-tert-butylphenyl)-4-chloro-3-(diethylsulfamoyl)benzamide
CID 7914188
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495
4-chloro-3-(diethylsulfamoyl)-N-(1H-pyrazol-4-yl)benzamide
CID 52680605
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-3-methyl-4-nitrobenzamide
CID 55340939

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide (CID 55630897) is N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)ccc1Cl.
What is the InChIKey of N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RTYPXEGQGPDVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-3-28(4-2)33(31,32)21-14-19(10-11-20(21)24)27-22(29)16-7-5-9-18(13-16)26-23(30)17-8-6-12-25-15-17/h5-15H,3-4H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55630897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).