2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

C12H14N2O3S — CID 114412238

IUPAC2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(=O)N1CC=CCC1
InChIInChI=1S/C12H14N2O3S/c13-18(16,17)11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2,(H2,13,16,17)
InChIKeyFPNHMURWEUZHCR-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.74
Rot. Bonds2

About 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide

2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (PubChem CID 114412238) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
PubChem CID114412238
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C(=O)N1CC=CCC1
InChIInChI=1S/C12H14N2O3S/c13-18(16,17)11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2,(H2,13,16,17)
InChIKeyFPNHMURWEUZHCR-UHFFFAOYSA-N
XLogP0.74
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dihydro-2H-pyridin-1-yl-(2-iodophenyl)methanone
CID 10881534
3,6-dihydro-2H-pyridin-1-yl-(2-sulfanylphenyl)methanone
CID 107036222
3,6-dihydro-2H-pyridin-1-yl-[2-(ethylamino)phenyl]methanone
CID 114411450
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
2-[4-[(2R)-2-hydroxypropyl]piperazine-1-carbonyl]benzenesulfonamide
CID 1239368
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207
(2,6-difluoro-4-phenylphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 176579757
2-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 18071831
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106502209
3-(3,6-dihydro-2H-pyridine-1-carbonyl)benzoic acid
CID 114412273
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
(5-amino-1-methylpyrazol-4-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 104600720

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide (CID 114412238) is 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C(=O)N1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
The InChIKey is FPNHMURWEUZHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-18(16,17)11-7-3-2-6-10(11)12(15)14-8-4-1-5-9-14/h1-4,6-7H,5,8-9H2,(H2,13,16,17).
What are the key properties of 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide?
2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide has a molecular weight of 266.32 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 114412238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).