2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C20H17Cl2N3O3S — CID 52893457

IUPAC2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccnc2Cl)ccc1Cl
InChIInChI=1S/C20H17Cl2N3O3S/c1-2-25(15-7-4-3-5-8-15)29(27,28)18-13-14(10-11-17(18)21)24-20(26)16-9-6-12-23-19(16)22/h3-13H,2H2,1H3,(H,24,26)
InChIKeyJSGHLLVUJARFBS-UHFFFAOYSA-N
MW450.35 g/mol
LogP4.86
Rot. Bonds6

About 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 52893457) has the molecular formula C20H17Cl2N3O3S and a molecular weight of 450.35 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID52893457
Molecular FormulaC20H17Cl2N3O3S
Molecular Weight450.35 g/mol
Exact Mass449.04
IUPAC Name2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccnc2Cl)ccc1Cl
InChIInChI=1S/C20H17Cl2N3O3S/c1-2-25(15-7-4-3-5-8-15)29(27,28)18-13-14(10-11-17(18)21)24-20(26)16-9-6-12-23-19(16)22/h3-13H,2H2,1H3,(H,24,26)
InChIKeyJSGHLLVUJARFBS-UHFFFAOYSA-N
XLogP4.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2,5-difluorobenzamide
CID 43030093
3-acetamido-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 42992579
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl]-dimethylazanium
CID 7870484
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 43054842
6-chloro-N-[4-chloro-3-(diethylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 155288495
2,4-dichloro-5-[ethyl(phenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 26578423
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-fluorophenoxy)acetamide
CID 36589093
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-nitrophenyl)acetamide
CID 35729144
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 112816128
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-1-cyanocyclohexane-1-carboxamide
CID 60584101
N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 34058902

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 52893457) is 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)c2cccnc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JSGHLLVUJARFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3S/c1-2-25(15-7-4-3-5-8-15)29(27,28)18-13-14(10-11-17(18)21)24-20(26)16-9-6-12-23-19(16)22/h3-13H,2H2,1H3,(H,24,26).
What are the key properties of 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 450.35 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52893457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).