2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide

C14H20N2O4S — CID 106588207

IUPAC2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCCN(C(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-20-10-11-5-4-8-16(9-11)14(17)12-6-2-3-7-13(12)21(15,18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,18,19)
InChIKeyGQHZSAGFXXSERX-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.83
Rot. Bonds4

About 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide

2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 106588207) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID106588207
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCCN(C(=O)c2ccccc2S(N)(=O)=O)C1
InChIInChI=1S/C14H20N2O4S/c1-20-10-11-5-4-8-16(9-11)14(17)12-6-2-3-7-13(12)21(15,18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,18,19)
InChIKeyGQHZSAGFXXSERX-UHFFFAOYSA-N
XLogP0.83
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(2-bromo-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 113339182
(2-bromo-3-pyridinyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103752797
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
(2-hydroxy-3-nitrophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103800253
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 106588207) is 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide is COCC1CCCN(C(=O)c2ccccc2S(N)(=O)=O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is GQHZSAGFXXSERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-10-11-5-4-8-16(9-11)14(17)12-6-2-3-7-13(12)21(15,18)19/h2-3,6-7,11H,4-5,8-10H2,1H3,(H2,15,18,19).
What are the key properties of 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide?
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 106588207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).