6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide

C22H23N3O4S2 — CID 46388212

IUPAC6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C22H23N3O4S2/c1-29-15-5-14-23-22(26)17-8-13-21(24-16-17)30-19-11-9-18(10-12-19)25-31(27,28)20-6-3-2-4-7-20/h2-4,6-13,16,25H,5,14-15H2,1H3,(H,23,26)
InChIKeyXIQRCZLZMNZZRC-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.80
Rot. Bonds10

About 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide

6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 46388212) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID46388212
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC Name6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1
InChIInChI=1S/C22H23N3O4S2/c1-29-15-5-14-23-22(26)17-8-13-21(24-16-17)30-19-11-9-18(10-12-19)25-31(27,28)20-6-3-2-4-7-20/h2-4,6-13,16,25H,5,14-15H2,1H3,(H,23,26)
InChIKeyXIQRCZLZMNZZRC-UHFFFAOYSA-N
XLogP3.80
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-6-[4-[(2-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388221
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]sulfanyl-N-ethylpyridine-3-carboxamide
CID 46388152
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-butan-2-yl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpyridine-3-carboxamide
CID 46388101
4-[(4-cyanophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109059868
3-[(4-methoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 26593268
4-(benzenesulfonamido)-N-(1-methoxypropan-2-yl)benzamide
CID 6459980
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
6-[4-(methanesulfonamido)phenyl]sulfanyl-N-prop-2-enylpyridine-3-carboxamide
CID 46388193
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004

Frequently Asked Questions

What is the IUPAC name of 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 46388212) is 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide is COCCCNC(=O)c1ccc(Sc2ccc(NS(=O)(=O)c3ccccc3)cc2)nc1.
What is the InChIKey of 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is XIQRCZLZMNZZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-29-15-5-14-23-22(26)17-8-13-21(24-16-17)30-19-11-9-18(10-12-19)25-31(27,28)20-6-3-2-4-7-20/h2-4,6-13,16,25H,5,14-15H2,1H3,(H,23,26).
What are the key properties of 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 46388212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).