N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

C19H24N4O4S — CID 9226742

IUPACN-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-21(27-2)28(25,26)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHFHCKACXFPWPPV-UHFFFAOYSA-N
MW404.49 g/mol
LogP1.22
Rot. Bonds6

About N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide

N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 9226742) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID9226742
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-21(27-2)28(25,26)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKeyHFHCKACXFPWPPV-UHFFFAOYSA-N
XLogP1.22
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245
N,N-dimethyl-3-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 9228437
N-methyl-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 39731562
N-methoxy-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-N-methylbenzenesulfonamide
CID 55919176
N-methoxy-N-methyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 38168338
(4-methylphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856605
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
CID 52517146

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide (CID 9226742) is N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccncc3)CC2)c1.
What is the InChIKey of N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is HFHCKACXFPWPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-21(27-2)28(25,26)18-5-3-4-17(14-18)19(24)23-12-10-22(11-13-23)15-16-6-8-20-9-7-16/h3-9,14H,10-13,15H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide?
N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 404.49 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-3-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 9226742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).