6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide

C23H23ClN4O4S — CID 3953144

IUPAC6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1N1CCCC1
InChIInChI=1S/C23H23ClN4O4S/c1-32-20-7-3-2-6-18(20)27-33(30,31)21-14-17(9-10-19(21)28-12-4-5-13-28)26-23(29)16-8-11-22(24)25-15-16/h2-3,6-11,14-15,27H,4-5,12-13H2,1H3,(H,26,29)
InChIKeyWQJVOYWMLYHYOK-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.40
Rot. Bonds7

About 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide

6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide (PubChem CID 3953144) has the molecular formula C23H23ClN4O4S and a molecular weight of 486.98 g/mol. Its IUPAC name is 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
PubChem CID3953144
Molecular FormulaC23H23ClN4O4S
Molecular Weight486.98 g/mol
Exact Mass486.11
IUPAC Name6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1N1CCCC1
InChIInChI=1S/C23H23ClN4O4S/c1-32-20-7-3-2-6-18(20)27-33(30,31)21-14-17(9-10-19(21)28-12-4-5-13-28)26-23(29)16-8-11-22(24)25-15-16/h2-3,6-11,14-15,27H,4-5,12-13H2,1H3,(H,26,29)
InChIKeyWQJVOYWMLYHYOK-UHFFFAOYSA-N
XLogP4.40
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide (CID 3953144) is 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide is COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc(Cl)nc2)ccc1N1CCCC1.
What is the InChIKey of 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
The InChIKey is WQJVOYWMLYHYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4S/c1-32-20-7-3-2-6-18(20)27-33(30,31)21-14-17(9-10-19(21)28-12-4-5-13-28)26-23(29)16-8-11-22(24)25-15-16/h2-3,6-11,14-15,27H,4-5,12-13H2,1H3,(H,26,29).
What are the key properties of 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide?
6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide has a molecular weight of 486.98 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 3953144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).