4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H22N2O3S — CID 715058

IUPAC4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyLNGQSIFKSWPQHF-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.41
Rot. Bonds4

About 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 715058) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID715058
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3
InChIKeyLNGQSIFKSWPQHF-UHFFFAOYSA-N
XLogP1.41
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-4-methoxy-N-methylbenzenesulfonamide
CID 79122048
4-bromo-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 60639726
4-methoxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 4691018
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57393432
3-amino-4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 28517555
4-(4-methoxyphenyl)-N-methyl-N-[1-(morpholine-4-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 90801739
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-[(1S,2R)-2-hydroxycyclohexyl]-4-methoxy-N-methylbenzenesulfonamide
CID 124758353
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 53278727
3-chloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57395160

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 715058) is 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C2CCN(C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is LNGQSIFKSWPQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-15-10-8-12(9-11-15)16(2)20(17,18)14-6-4-13(19-3)5-7-14/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 715058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).