6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide

C20H18ClN3O4S — CID 26642328

IUPAC6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2C)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-13-3-5-16(23-20(25)14-4-10-19(21)22-12-14)11-18(13)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-12,24H,1-2H3,(H,23,25)
InChIKeyBDOVDZJIVQNPTC-UHFFFAOYSA-N
MW431.90 g/mol
LogP4.11
Rot. Bonds6

About 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide (PubChem CID 26642328) has the molecular formula C20H18ClN3O4S and a molecular weight of 431.90 g/mol. Its IUPAC name is 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
PubChem CID26642328
Molecular FormulaC20H18ClN3O4S
Molecular Weight431.90 g/mol
Exact Mass431.07
IUPAC Name6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2C)cc1
InChIInChI=1S/C20H18ClN3O4S/c1-13-3-5-16(23-20(25)14-4-10-19(21)22-12-14)11-18(13)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-12,24H,1-2H3,(H,23,25)
InChIKeyBDOVDZJIVQNPTC-UHFFFAOYSA-N
XLogP4.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.90
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4,5-dimethoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26642074
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[6-(dimethylamino)-3-pyridinyl]-3-[(4-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295696
N-[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]-6-methylpyridine-3-carboxamide
CID 38020627
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-methylthiophene-2-carboxamide
CID 35743328
4-methoxy-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-nitrobenzamide
CID 71904035
2-(4-methoxyphenoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]acetamide
CID 26642497
2-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-methylsulfanylbenzamide
CID 26642387
3-(2-amino-2-oxoethoxy)-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 35557182
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,4,5-trimethylfuran-3-carboxamide
CID 26720987

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide (CID 26642328) is 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide is COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(Cl)nc3)ccc2C)cc1.
What is the InChIKey of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
The InChIKey is BDOVDZJIVQNPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4S/c1-13-3-5-16(23-20(25)14-4-10-19(21)22-12-14)11-18(13)29(26,27)24-15-6-8-17(28-2)9-7-15/h3-12,24H,1-2H3,(H,23,25).
What are the key properties of 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide has a molecular weight of 431.90 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 26642328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).