3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide

C13H20N2O3S — CID 119964445

IUPAC3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-10-11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-14-9-12/h2,4,6,8,12,14-15H,3,5,7,9-10H2,1H3
InChIKeyZZGWHXWDRSBVBJ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.86
Rot. Bonds5

About 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide

3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide (PubChem CID 119964445) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
PubChem CID119964445
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide
SMILESCOCc1cccc(S(=O)(=O)NC2CCCNC2)c1
InChIInChI=1S/C13H20N2O3S/c1-18-10-11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-14-9-12/h2,4,6,8,12,14-15H,3,5,7,9-10H2,1H3
InChIKeyZZGWHXWDRSBVBJ-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
3-(methoxymethyl)-N-(4-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120722944
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
3-acetyl-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964549
N-piperidin-3-yl-3-(trifluoromethoxy)benzenesulfonamide
CID 63320915
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
N-cyclopentyl-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691365
3-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
N-piperidin-3-ylnaphthalene-2-sulfonamide
CID 63321555
3-bromo-4-ethoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964398

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide?
The IUPAC name of 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide (CID 119964445) is 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide is COCc1cccc(S(=O)(=O)NC2CCCNC2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide?
The InChIKey is ZZGWHXWDRSBVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-10-11-4-2-6-13(8-11)19(16,17)15-12-5-3-7-14-9-12/h2,4,6,8,12,14-15H,3,5,7,9-10H2,1H3.
What are the key properties of 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide?
3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-piperidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119964445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).