N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide

C19H24N2O2S — CID 57398674

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N2O2S/c1-20-14-12-18(13-15-20)21(2)24(22,23)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,12-15H2,1-2H3
InChIKeyXDRCNFGQZMLUDX-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide (PubChem CID 57398674) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
PubChem CID57398674
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C19H24N2O2S/c1-20-14-12-18(13-15-20)21(2)24(22,23)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,12-15H2,1-2H3
InChIKeyXDRCNFGQZMLUDX-UHFFFAOYSA-N
XLogP3.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 715058
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
N-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 64587065
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 8781348
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160
4-amino-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]benzenesulfonamide
CID 129391721
N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 8781350
2,6-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 5184703

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide (CID 57398674) is N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide is CN1CCC(N(C)S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
The InChIKey is XDRCNFGQZMLUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20-14-12-18(13-15-20)21(2)24(22,23)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,18H,12-15H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide is sourced from PubChem (CID 57398674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).