N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide

C19H24N2O3S — CID 51169998

IUPACN-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-5-6-10-19(18)25(22,23)20-17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3
InChIKeyKWEIZSANVGXQIR-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.64
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide

N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide (PubChem CID 51169998) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
PubChem CID51169998
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-5-6-10-19(18)25(22,23)20-17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3
InChIKeyKWEIZSANVGXQIR-UHFFFAOYSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-bromobenzenesulfonamide
CID 40562452
N-(1-benzylpiperidin-4-yl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53009437
N-(1-benzylpiperidin-4-yl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117927
N-(1-benzylpiperidin-4-yl)-2-nitrobenzenesulfonamide;hydrochloride
CID 18197763
2-methoxy-N-piperidin-4-ylbenzenesulfonamide
CID 43603348
N-(1-benzylpyrrolidin-3-yl)-2-bromobenzenesulfonamide
CID 5147376
1-benzyl-N-[2-(2-methoxyphenyl)ethyl]piperidin-4-amine
CID 27267411
1-benzyl-4-(dimethylsulfamoylamino)piperidine
CID 11044707
2,5-dimethoxy-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 60540087
N-(1-benzylpyrrolidin-3-yl)naphthalene-1-sulfonamide
CID 3791981
N-(1-benzylpiperidin-4-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 114132627
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide (CID 51169998) is N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide?
The InChIKey is KWEIZSANVGXQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-18-9-5-6-10-19(18)25(22,23)20-17-11-13-21(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,20H,11-15H2,1H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 51169998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).