2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

C18H28N2O4S — CID 121109576

IUPAC2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H28N2O4S/c1-23-17-4-2-3-5-18(17)25(21,22)19-14-15-6-10-20(11-7-15)16-8-12-24-13-9-16/h2-5,15-16,19H,6-14H2,1H3
InChIKeySXFVIAARVICGIO-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.86
Rot. Bonds6

About 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide

2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 121109576) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID121109576
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C18H28N2O4S/c1-23-17-4-2-3-5-18(17)25(21,22)19-14-15-6-10-20(11-7-15)16-8-12-24-13-9-16/h2-5,15-16,19H,6-14H2,1H3
InChIKeySXFVIAARVICGIO-UHFFFAOYSA-N
XLogP1.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
2-methoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108144
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
2-(2-methoxyphenoxy)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]acetamide
CID 91813001
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 121109573
2-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720923
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]-2-methoxybenzenesulfonamide
CID 72716897
2-ethoxy-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 121108159
N-[(2-hydroxycyclohexyl)methyl]-2-methoxybenzenesulfonamide
CID 64910766

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 121109576) is 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is SXFVIAARVICGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-23-17-4-2-3-5-18(17)25(21,22)19-14-15-6-10-20(11-7-15)16-8-12-24-13-9-16/h2-5,15-16,19H,6-14H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide?
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121109576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).