3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide

C14H14F2N2O5S2 — CID 49457332

IUPAC3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H14F2N2O5S2/c15-14(16)23-11-4-1-3-10(7-11)9-18-25(21,22)13-6-2-5-12(8-13)24(17,19)20/h1-8,14,18H,9H2,(H2,17,19,20)
InChIKeyJSUDKUKWXCCUQO-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.41
Rot. Bonds7

About 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide

3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide (PubChem CID 49457332) has the molecular formula C14H14F2N2O5S2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
PubChem CID49457332
Molecular FormulaC14H14F2N2O5S2
Molecular Weight392.41 g/mol
Exact Mass392.03
IUPAC Name3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H14F2N2O5S2/c15-14(16)23-11-4-1-3-10(7-11)9-18-25(21,22)13-6-2-5-12(8-13)24(17,19)20/h1-8,14,18H,9H2,(H2,17,19,20)
InChIKeyJSUDKUKWXCCUQO-UHFFFAOYSA-N
XLogP1.41
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(difluoromethoxy)phenyl]methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 49457381
3-N-[(6-methoxynaphthalen-2-yl)methyl]benzene-1,3-disulfonamide
CID 31109957
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548477
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2388022
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfonyl)aniline
CID 133278049
3-[[[4-(4-ethoxyphenoxy)phenyl]sulfonylamino]methyl]benzenesulfonamide
CID 55681739
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 49390939

Frequently Asked Questions

What is the IUPAC name of 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide (CID 49457332) is 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NCc2cccc(OC(F)F)c2)c1.
What is the InChIKey of 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide?
The InChIKey is JSUDKUKWXCCUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O5S2/c15-14(16)23-11-4-1-3-10(7-11)9-18-25(21,22)13-6-2-5-12(8-13)24(17,19)20/h1-8,14,18H,9H2,(H2,17,19,20).
What are the key properties of 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide?
3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide has a molecular weight of 392.41 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[[3-(difluoromethoxy)phenyl]methyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 49457332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).