N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide

C14H19F2NO5S2 — CID 175268016

IUPACN-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(F)(F)S(=O)(=O)c2ccccc2)COC1
InChIInChI=1S/C14H19F2NO5S2/c1-12(2,3)24(20,21)17-13(9-22-10-13)14(15,16)23(18,19)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKeyLHXQJMGUTPVMTM-UHFFFAOYSA-N
MW383.44 g/mol
LogP1.54
Rot. Bonds5

About N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide

N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide (PubChem CID 175268016) has the molecular formula C14H19F2NO5S2 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide
PubChem CID175268016
Molecular FormulaC14H19F2NO5S2
Molecular Weight383.44 g/mol
Exact Mass383.07
IUPAC NameN-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1(C(F)(F)S(=O)(=O)c2ccccc2)COC1
InChIInChI=1S/C14H19F2NO5S2/c1-12(2,3)24(20,21)17-13(9-22-10-13)14(15,16)23(18,19)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3
InChIKeyLHXQJMGUTPVMTM-UHFFFAOYSA-N
XLogP1.54
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;trifluoromethylsulfonylbenzene
CID 144556552
benzene;tribromomethylsulfonylbenzene
CID 70302042
(benzenesulfonyl-fluoro-iodomethyl)sulfonylbenzene
CID 132518084
tert-butyl-[(1,1-difluoroethyl-oxo-phenyl-λ6-sulfanylidene)amino]-dimethylsilane
CID 146029337
N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
CID 118472177
1-[benzenesulfonyl(difluoro)methyl]-3-methylcyclobutan-1-ol;1-(difluoromethyl)-3-methylcyclobutan-1-ol
CID 158659297
ditert-butyl(diphenyl)-λ4-sulfane
CID 57066326
[1-(benzenesulfonyl)-1-fluorobut-3-enyl]sulfonylbenzene
CID 141207433
N-[2-[5-(trifluoromethyl)furan-2-yl]propan-2-yl]benzenesulfonamide
CID 135357174
triiodomethylsulfonylbenzene
CID 22887646
N,N'-bis(benzenesulfonyl)-1,1,2,2-tetrafluoroethane-1,2-disulfonamide
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N-(3-methyloxan-3-yl)benzenesulfonamide
CID 103896537

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide (CID 175268016) is N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1(C(F)(F)S(=O)(=O)c2ccccc2)COC1.
What is the InChIKey of N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide?
The InChIKey is LHXQJMGUTPVMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO5S2/c1-12(2,3)24(20,21)17-13(9-22-10-13)14(15,16)23(18,19)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3.
What are the key properties of N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide?
N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide has a molecular weight of 383.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzenesulfonyl(difluoro)methyl]oxetan-3-yl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 175268016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).