N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide

C21H20ClN3O4S — CID 43054842

IUPACN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccn(C)c(=O)c2)ccc1Cl
InChIInChI=1S/C21H20ClN3O4S/c1-3-25(17-7-5-4-6-8-17)30(28,29)19-14-16(9-10-18(19)22)23-21(27)15-11-12-24(2)20(26)13-15/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyLYKCLNSHVDJMRT-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.51
Rot. Bonds6

About N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 43054842) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID43054842
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC NameN-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccn(C)c(=O)c2)ccc1Cl
InChIInChI=1S/C21H20ClN3O4S/c1-3-25(17-7-5-4-6-8-17)30(28,29)19-14-16(9-10-18(19)22)23-21(27)15-11-12-24(2)20(26)13-15/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyLYKCLNSHVDJMRT-UHFFFAOYSA-N
XLogP3.51
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 52893457
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-(3-chlorophenyl)-3-[ethyl(phenyl)sulfamoyl]-4-fluorobenzamide
CID 5169190
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 112816128
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55631238
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 26578423
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 43054842) is N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2ccn(C)c(=O)c2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is LYKCLNSHVDJMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-3-25(17-7-5-4-6-8-17)30(28,29)19-14-16(9-10-18(19)22)23-21(27)15-11-12-24(2)20(26)13-15/h4-14H,3H2,1-2H3,(H,23,27).
What are the key properties of N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 43054842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).