(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide

C18H16ClN3O3S — CID 8007010

IUPAC(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16ClN3O3S/c1-22(26(23,24)12-11-14-5-3-2-4-6-14)13-17-20-21-18(25-17)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3/b12-11+
InChIKeyBCVJQPMAKWSXKS-VAWYXSNFSA-N
MW389.86 g/mol
LogP3.82
Rot. Bonds6

About (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide

(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide (PubChem CID 8007010) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
PubChem CID8007010
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C18H16ClN3O3S/c1-22(26(23,24)12-11-14-5-3-2-4-6-14)13-17-20-21-18(25-17)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3/b12-11+
InChIKeyBCVJQPMAKWSXKS-VAWYXSNFSA-N
XLogP3.82
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 62637417
(2R)-1-[N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]anilino]propan-2-ol
CID 94824043
2-[(4-chlorophenyl)sulfonylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 42632514
N-methyl-N-[[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 162418406
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319836
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
(E)-N-[(2-bromophenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 30328284
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
N-[2-(4-chlorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9427564
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
N-benzyl-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
CID 55446419

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide (CID 8007010) is (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide is CN(Cc1nnc(-c2ccc(Cl)cc2)o1)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide?
The InChIKey is BCVJQPMAKWSXKS-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-22(26(23,24)12-11-14-5-3-2-4-6-14)13-17-20-21-18(25-17)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3/b12-11+.
What are the key properties of (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide?
(E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-2-phenylethenesulfonamide is sourced from PubChem (CID 8007010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).