N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

C20H19N3O4S — CID 1305472

IUPACN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C20H19N3O4S/c1-14-5-3-7-16(11-14)23-28(25,26)17-8-9-18(19(12-17)27-2)22-20(24)15-6-4-10-21-13-15/h3-13,23H,1-2H3,(H,22,24)
InChIKeyMLOZXLARSGXAJI-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.45
Rot. Bonds6

About N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 1305472) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
PubChem CID1305472
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C20H19N3O4S/c1-14-5-3-7-16(11-14)23-28(25,26)17-8-9-18(19(12-17)27-2)22-20(24)15-6-4-10-21-13-15/h3-13,23H,1-2H3,(H,22,24)
InChIKeyMLOZXLARSGXAJI-UHFFFAOYSA-N
XLogP3.45
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide (CID 1305472) is N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MLOZXLARSGXAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-14-5-3-7-16(11-14)23-28(25,26)17-8-9-18(19(12-17)27-2)22-20(24)15-6-4-10-21-13-15/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(3-methylphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1305472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).