6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide

C17H15ClN2O3S — CID 166423420

IUPAC6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN2O3S/c18-17-9-8-13(10-19-17)24(22,23)20-11-16(21)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,16,20-21H,11H2
InChIKeyHKEYBCQJKVXCER-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.90
Rot. Bonds5

About 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide

6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide (PubChem CID 166423420) has the molecular formula C17H15ClN2O3S and a molecular weight of 362.84 g/mol. Its IUPAC name is 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
PubChem CID166423420
Molecular FormulaC17H15ClN2O3S
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)nc1
InChIInChI=1S/C17H15ClN2O3S/c18-17-9-8-13(10-19-17)24(22,23)20-11-16(21)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,16,20-21H,11H2
InChIKeyHKEYBCQJKVXCER-UHFFFAOYSA-N
XLogP2.90
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 56764144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-propoxybenzenesulfonamide
CID 90497393
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methylbenzenesulfonamide
CID 95367209
4-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)quinoline-8-sulfonamide
CID 166326565
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-nitrobenzenesulfonamide
CID 90497380
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 95367244
4-chloro-2-fluoro-N-(2-hydroxy-2-naphthalen-1-ylethyl)benzenesulfonamide
CID 166326529
2-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-methylbenzenesulfonamide
CID 166326540
3-fluoro-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-4-methoxybenzenesulfonamide
CID 95367229
6-chloro-N-(2-ethylbutyl)pyridine-3-sulfonamide
CID 115613422
1-(3-chlorophenyl)-N-(2-hydroxy-2-naphthalen-1-ylethyl)methanesulfonamide
CID 90497384

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide (CID 166423420) is 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide?
The InChIKey is HKEYBCQJKVXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3S/c18-17-9-8-13(10-19-17)24(22,23)20-11-16(21)15-7-3-5-12-4-1-2-6-14(12)15/h1-10,16,20-21H,11H2.
What are the key properties of 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide?
6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide has a molecular weight of 362.84 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 166423420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).