N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide

C23H19N3O4S — CID 91106510

IUPACN-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C23H19N3O4S/c1-30-26(18-7-3-2-4-8-18)31(28,29)22-12-11-21(19-9-5-6-10-20(19)22)25-23(27)17-13-15-24-16-14-17/h2-16H,1H3,(H,25,27)
InChIKeyUUKBFVJWPUOFGX-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.24
Rot. Bonds6

About N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide

N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide (PubChem CID 91106510) has the molecular formula C23H19N3O4S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
PubChem CID91106510
Molecular FormulaC23H19N3O4S
Molecular Weight433.49 g/mol
Exact Mass433.11
IUPAC NameN-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide
SMILESCON(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)c2ccccc12
InChIInChI=1S/C23H19N3O4S/c1-30-26(18-7-3-2-4-8-18)31(28,29)22-12-11-21(19-9-5-6-10-20(19)22)25-23(27)17-13-15-24-16-14-17/h2-16H,1H3,(H,25,27)
InChIKeyUUKBFVJWPUOFGX-UHFFFAOYSA-N
XLogP4.24
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-[4-(pyridin-2-ylsulfamoyl)naphthalen-1-yl]benzamide
CID 59656557
N-[3-[methoxy(phenyl)sulfamoyl]-5,6,7,8-tetrahydronaphthalen-1-yl]benzamide
CID 90924177
N-[4-[(4-phenylphenyl)sulfamoyl]naphthalen-1-yl]benzamide
CID 59656404
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-(5-thiophen-2-ylsulfonylquinolin-8-yl)benzamide
CID 132603204
2-[N-(4-methoxyphenyl)sulfonyl-2-(pyridine-4-carbonylamino)anilino]acetic acid
CID 139895047
N-(4-methoxynaphthalen-1-yl)-4-phenylbenzamide
CID 1190439
4-tert-butyl-N-(4-methoxynaphthalen-1-yl)benzamide
CID 2332529
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
4-(dimethylsulfamoyl)-N-(4-hydroxynaphthalen-1-yl)benzamide
CID 17460385
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide
CID 1244343

Frequently Asked Questions

What is the IUPAC name of N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide (CID 91106510) is N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide is CON(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccncc2)c2ccccc12.
What is the InChIKey of N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide?
The InChIKey is UUKBFVJWPUOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4S/c1-30-26(18-7-3-2-4-8-18)31(28,29)22-12-11-21(19-9-5-6-10-20(19)22)25-23(27)17-13-15-24-16-14-17/h2-16H,1H3,(H,25,27).
What are the key properties of N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide?
N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methoxy(phenyl)sulfamoyl]naphthalen-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91106510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).