2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C19H15Cl2N3O4S — CID 3888926

IUPAC2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccnc3Cl)c2)cc1
InChIInChI=1S/C19H15Cl2N3O4S/c1-28-13-6-4-12(5-7-13)24-29(26,27)14-8-9-16(20)17(11-14)23-19(25)15-3-2-10-22-18(15)21/h2-11,24H,1H3,(H,23,25)
InChIKeyCLYXRTDDPDQKOH-UHFFFAOYSA-N
MW452.32 g/mol
LogP4.45
Rot. Bonds6

About 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 3888926) has the molecular formula C19H15Cl2N3O4S and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID3888926
Molecular FormulaC19H15Cl2N3O4S
Molecular Weight452.32 g/mol
Exact Mass451.02
IUPAC Name2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccnc3Cl)c2)cc1
InChIInChI=1S/C19H15Cl2N3O4S/c1-28-13-6-4-12(5-7-13)24-29(26,27)14-8-9-16(20)17(11-14)23-19(25)15-3-2-10-22-18(15)21/h2-11,24H,1H3,(H,23,25)
InChIKeyCLYXRTDDPDQKOH-UHFFFAOYSA-N
XLogP4.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 54.45
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

5-((5-Chloro-2-methoxyphenyl)sulfonamido)nicotinamide
CID 89768286
N-[3-(aminosulfonyl)phenyl]-2-phenoxynicotinamide
CID 2812916
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
6-chloro-N-{3-[(4-methoxyphenyl)sulfamoyl]phenyl}pyridine-3-carboxamide
CID 3248530
5-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 89768344
6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
CID 3953144
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 1242547
2-chloro-N-[4-methoxy-2-(morpholine-4-sulfonyl)phenyl]pyridine-3-carboxamide
CID 2349249
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
CID 4653996
4-Chloro-N-{2-methoxy-5-[(pyridin-4-ylmethyl)-sulfamoyl]-phenyl}-benzamide
CID 6492380
4-chloro-N-isonicotinoyl-N-(4-methoxyphenyl)benzenesulfonamide
CID 7315360
N-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 7315361

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 3888926) is 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)c3cccnc3Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CLYXRTDDPDQKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S/c1-28-13-6-4-12(5-7-13)24-29(26,27)14-8-9-16(20)17(11-14)23-19(25)15-3-2-10-22-18(15)21/h2-11,24H,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 452.32 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-chloro-5-[(4-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3888926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).