N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

C23H27N3O4S — CID 53009437

IUPACN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4S/c1-17-14-21(30-24-17)19-8-9-23(22(15-19)29-2)31(27,28)25-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h3-9,14-15,20,25H,10-13,16H2,1-2H3
InChIKeySHYSRKLXVUJXPZ-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.60
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 53009437) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID53009437
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCOc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O4S/c1-17-14-21(30-24-17)19-8-9-23(22(15-19)29-2)31(27,28)25-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h3-9,14-15,20,25H,10-13,16H2,1-2H3
InChIKeySHYSRKLXVUJXPZ-UHFFFAOYSA-N
XLogP3.60
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
CID 51169998
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117927
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 20936132
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 5308247
N-cyclopropyl-5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylbenzenesulfonamide
CID 20936500
N-(3-chloro-2-methylphenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094799
N-cyclooctyl-2-methoxy-4-(1,2-oxazol-5-yl)benzenesulfonamide
CID 53094869
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121
N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(2-methoxyphenyl)-2-methyl-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53095046
N-[(3S)-1-benzylpyrrolidin-3-yl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499712

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 53009437) is N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is COc1cc(-c2cc(C)no2)ccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is SHYSRKLXVUJXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-17-14-21(30-24-17)19-8-9-23(22(15-19)29-2)31(27,28)25-20-10-12-26(13-11-20)16-18-6-4-3-5-7-18/h3-9,14-15,20,25H,10-13,16H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 53009437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).