(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide

C17H17F2NO4S — CID 9189230

IUPAC(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO4S/c1-23-16-11-14(7-8-15(16)24-17(18)19)12-20-25(21,22)10-9-13-5-3-2-4-6-13/h2-11,17,20H,12H2,1H3/b10-9+
InChIKeyAPSSGVHNTNLXGE-MDZDMXLPSA-N
MW369.39 g/mol
LogP3.39
Rot. Bonds8

About (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide

(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide (PubChem CID 9189230) has the molecular formula C17H17F2NO4S and a molecular weight of 369.39 g/mol. Its IUPAC name is (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
PubChem CID9189230
Molecular FormulaC17H17F2NO4S
Molecular Weight369.39 g/mol
Exact Mass369.08
IUPAC Name(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide
SMILESCOc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C17H17F2NO4S/c1-23-16-11-14(7-8-15(16)24-17(18)19)12-20-25(21,22)10-9-13-5-3-2-4-6-13/h2-11,17,20H,12H2,1H3/b10-9+
InChIKeyAPSSGVHNTNLXGE-MDZDMXLPSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 39123867
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-phenylethenesulfonamide
CID 46696275
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide
CID 41498688
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169384519
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 27866075
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 55713372
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-fluoro-5-methylbenzenesulfonamide
CID 39624112
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27676534
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640
2-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(3-methoxyphenyl)methyl]ethenesulfonamide
CID 1487527

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide (CID 9189230) is (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide is COc1cc(CNS(=O)(=O)/C=C/c2ccccc2)ccc1OC(F)F.
What is the InChIKey of (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide?
The InChIKey is APSSGVHNTNLXGE-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H17F2NO4S/c1-23-16-11-14(7-8-15(16)24-17(18)19)12-20-25(21,22)10-9-13-5-3-2-4-6-13/h2-11,17,20H,12H2,1H3/b10-9+.
What are the key properties of (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide?
(E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide has a molecular weight of 369.39 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 9189230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).