N-(1-pyridin-2-yltridecyl)benzenesulfonamide

C24H36N2O2S — CID 54173262

IUPACN-(1-pyridin-2-yltridecyl)benzenesulfonamide
SMILESCCCCCCCCCCCCC(NS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-20-24(23-19-15-16-21-25-23)26-29(27,28)22-17-12-11-13-18-22/h11-13,15-19,21,24,26H,2-10,14,20H2,1H3
InChIKeyOWMPMEDYFJCHHX-UHFFFAOYSA-N
MW416.63 g/mol
LogP6.41
Rot. Bonds15

About N-(1-pyridin-2-yltridecyl)benzenesulfonamide

N-(1-pyridin-2-yltridecyl)benzenesulfonamide (PubChem CID 54173262) has the molecular formula C24H36N2O2S and a molecular weight of 416.63 g/mol. Its IUPAC name is N-(1-pyridin-2-yltridecyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-2-yltridecyl)benzenesulfonamide
PubChem CID54173262
Molecular FormulaC24H36N2O2S
Molecular Weight416.63 g/mol
Exact Mass416.25
IUPAC NameN-(1-pyridin-2-yltridecyl)benzenesulfonamide
SMILESCCCCCCCCCCCCC(NS(=O)(=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-20-24(23-19-15-16-21-25-23)26-29(27,28)22-17-12-11-13-18-22/h11-13,15-19,21,24,26H,2-10,14,20H2,1H3
InChIKeyOWMPMEDYFJCHHX-UHFFFAOYSA-N
XLogP6.41
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pyridin-2-yloctylhydrazine
CID 105195796
N-ethyl-1-pyridin-2-ylnonan-1-amine
CID 62600129
N-ethyl-1-pyridin-2-ylhexan-1-amine
CID 62600130
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-tridecan-6-ylpyridine
CID 139295924
1-N-cyclopropyl-4-N-(3-phenyl-1-pyridin-2-ylpropyl)benzene-1,4-disulfonamide
CID 146094199
2-decan-4-ylpyridine
CID 67882797
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-(1-bromohexadecyl)pyridine;hydrate
CID 175001127
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-yltridecyl)benzenesulfonamide?
The IUPAC name of N-(1-pyridin-2-yltridecyl)benzenesulfonamide (CID 54173262) is N-(1-pyridin-2-yltridecyl)benzenesulfonamide.
What is the SMILES notation for N-(1-pyridin-2-yltridecyl)benzenesulfonamide?
The canonical SMILES for N-(1-pyridin-2-yltridecyl)benzenesulfonamide is CCCCCCCCCCCCC(NS(=O)(=O)c1ccccc1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-yltridecyl)benzenesulfonamide?
The InChIKey is OWMPMEDYFJCHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O2S/c1-2-3-4-5-6-7-8-9-10-14-20-24(23-19-15-16-21-25-23)26-29(27,28)22-17-12-11-13-18-22/h11-13,15-19,21,24,26H,2-10,14,20H2,1H3.
What are the key properties of N-(1-pyridin-2-yltridecyl)benzenesulfonamide?
N-(1-pyridin-2-yltridecyl)benzenesulfonamide has a molecular weight of 416.63 g/mol, XLogP of 6.41, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-yltridecyl)benzenesulfonamide is sourced from PubChem (CID 54173262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).