4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

C22H24N2O2S — CID 25357201

IUPAC4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-17(2)18-12-14-20(15-13-18)27(25,26)24-22(19-9-5-4-6-10-19)21-11-7-8-16-23-21/h4-17,22,24H,3H2,1-2H3/t17-,22-/m0/s1
InChIKeyUTRKISLBLADDRM-JTSKRJEESA-N
MW380.51 g/mol
LogP4.66
Rot. Bonds7

About 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide

4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 25357201) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
PubChem CID25357201
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
SMILESCC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1
InChIInChI=1S/C22H24N2O2S/c1-3-17(2)18-12-14-20(15-13-18)27(25,26)24-22(19-9-5-4-6-10-19)21-11-7-8-16-23-21/h4-17,22,24H,3H2,1-2H3/t17-,22-/m0/s1
InChIKeyUTRKISLBLADDRM-JTSKRJEESA-N
XLogP4.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
N-pentan-3-yl-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridine-3-sulfonamide
CID 56585243
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
butan-2-ylbenzene;1,4-di(butan-2-yl)benzene;hydron;methanesulfonate
CID 162215366
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
3-methyl-2-oxo-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 31534526
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide (CID 25357201) is 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1.
What is the InChIKey of 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
The InChIKey is UTRKISLBLADDRM-JTSKRJEESA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-3-17(2)18-12-14-20(15-13-18)27(25,26)24-22(19-9-5-4-6-10-19)21-11-7-8-16-23-21/h4-17,22,24H,3H2,1-2H3/t17-,22-/m0/s1.
What are the key properties of 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide?
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 380.51 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 25357201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).