6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide

C15H17ClN2O2S — CID 7510271

IUPAC6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(7-8-13-5-3-2-4-6-13)18-21(19,20)14-9-10-15(16)17-11-14/h2-6,9-12,18H,7-8H2,1H3/t12-/m0/s1
InChIKeyYTXMJWXVKPVRIC-LBPRGKRZSA-N
MW324.83 g/mol
LogP3.03
Rot. Bonds6

About 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide

6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide (PubChem CID 7510271) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
PubChem CID7510271
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
SMILESC[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H17ClN2O2S/c1-12(7-8-13-5-3-2-4-6-13)18-21(19,20)14-9-10-15(16)17-11-14/h2-6,9-12,18H,7-8H2,1H3/t12-/m0/s1
InChIKeyYTXMJWXVKPVRIC-LBPRGKRZSA-N
XLogP3.03
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
2-chloro-5-[[(2R)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 2439942
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
CID 43629384
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
4-methoxy-N-[(2S)-4-phenylbutan-2-yl]-3-propan-2-ylbenzenesulfonamide
CID 9181822
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
N-but-3-yn-2-yl-6-chloropyridine-3-sulfonamide
CID 114416452

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide (CID 7510271) is 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide is C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide?
The InChIKey is YTXMJWXVKPVRIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-12(7-8-13-5-3-2-4-6-13)18-21(19,20)14-9-10-15(16)17-11-14/h2-6,9-12,18H,7-8H2,1H3/t12-/m0/s1.
What are the key properties of 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide?
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 7510271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).