3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C20H18N2O3S — CID 95145320

IUPAC3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H18N2O3S/c1-15(23)17-10-7-11-18(14-17)26(24,25)22-20(16-8-3-2-4-9-16)19-12-5-6-13-21-19/h2-14,20,22H,1H3/t20-/m1/s1
InChIKeySTQWGEUSCWXZHN-HXUWFJFHSA-N
MW366.44 g/mol
LogP3.35
Rot. Bonds6

About 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 95145320) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID95145320
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c1
InChIInChI=1S/C20H18N2O3S/c1-15(23)17-10-7-11-18(14-17)26(24,25)22-20(16-8-3-2-4-9-16)19-12-5-6-13-21-19/h2-14,20,22H,1H3/t20-/m1/s1
InChIKeySTQWGEUSCWXZHN-HXUWFJFHSA-N
XLogP3.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
3-acetyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzenesulfonamide
CID 121176531
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
(2R)-2-[(3-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29276801
3-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534526
3-acetyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 17435348
3-(carbamoylamino)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78779505
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
3-(methylsulfonylmethyl)-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 78811700
2-[(3-acetylphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43080124

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 95145320) is 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccn2)c1.
What is the InChIKey of 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is STQWGEUSCWXZHN-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-15(23)17-10-7-11-18(14-17)26(24,25)22-20(16-8-3-2-4-9-16)19-12-5-6-13-21-19/h2-14,20,22H,1H3/t20-/m1/s1.
What are the key properties of 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 95145320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).