3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide

C14H20F2N2O3S — CID 120896329

IUPAC3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cc(F)cc(F)c2)CCNCC1
InChIInChI=1S/C14H20F2N2O3S/c1-21-10-14(2-4-17-5-3-14)9-18-22(19,20)13-7-11(15)6-12(16)8-13/h6-8,17-18H,2-5,9-10H2,1H3
InChIKeyMBWATSLRCGOWKP-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.26
Rot. Bonds6

About 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide

3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 120896329) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID120896329
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC Name3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCOCC1(CNS(=O)(=O)c2cc(F)cc(F)c2)CCNCC1
InChIInChI=1S/C14H20F2N2O3S/c1-21-10-14(2-4-17-5-3-14)9-18-22(19,20)13-7-11(15)6-12(16)8-13/h6-8,17-18H,2-5,9-10H2,1H3
InChIKeyMBWATSLRCGOWKP-UHFFFAOYSA-N
XLogP1.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylsulfonylbenzenesulfonamide
CID 120896801
3-fluoro-4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896550
3,4-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 120896903
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-phenylbenzenesulfonamide;hydrochloride
CID 120896472
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 120896939
4-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzenesulfonamide;hydrochloride
CID 120896890
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide;hydrochloride
CID 120896574
1-(2,2-difluoroethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-sulfonamide
CID 120896419
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzenesulfonamide
CID 120896521
4-cyano-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 120896081
5-fluoro-2-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide;hydrochloride
CID 120896300
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,6-dimethylbenzenesulfonamide;hydrochloride
CID 120896430

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 120896329) is 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide is COCC1(CNS(=O)(=O)c2cc(F)cc(F)c2)CCNCC1.
What is the InChIKey of 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is MBWATSLRCGOWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-21-10-14(2-4-17-5-3-14)9-18-22(19,20)13-7-11(15)6-12(16)8-13/h6-8,17-18H,2-5,9-10H2,1H3.
What are the key properties of 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide?
3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 334.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 120896329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).