(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide

C15H13NO4S — CID 24867440

IUPAC(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C\c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8-
InChIKeyVSCDCIHCVPJIKO-HJWRWDBZSA-N
MW303.34 g/mol
LogP2.83
Rot. Bonds4

About (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide

(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide (PubChem CID 24867440) has the molecular formula C15H13NO4S and a molecular weight of 303.34 g/mol. Its IUPAC name is (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
PubChem CID24867440
Molecular FormulaC15H13NO4S
Molecular Weight303.34 g/mol
Exact Mass303.06
IUPAC Name(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C\c1ccccc1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8-
InChIKeyVSCDCIHCVPJIKO-HJWRWDBZSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]-2-phenylethenesulfonamide
CID 6215450
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-(2-phenylethenylsulfonylamino)benzoate
CID 4840837
N-(1,3-benzodioxol-5-yl)-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9401678
N-(1,3-benzodioxol-5-yl)-3-phenylprop-2-enamide
CID 4106400
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
(E)-N-(9H-fluoren-2-yl)-2-phenylethenesulfonamide
CID 51109658
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
(E)-N-(3-iodo-4-methylphenyl)-2-phenylethenesulfonamide
CID 26950528
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
(E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenylethenesulfonamide
CID 17419276
N-[1-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-1-oxopropan-2-yl]-2-phenylethenesulfonamide
CID 4790236
(E)-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethenesulfonamide
CID 26970285

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The IUPAC name of (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide (CID 24867440) is (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide is O=S(=O)(/C=C\c1ccccc1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
The InChIKey is VSCDCIHCVPJIKO-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H13NO4S/c17-21(18,9-8-12-4-2-1-3-5-12)16-13-6-7-14-15(10-13)20-11-19-14/h1-10,16H,11H2/b9-8-.
What are the key properties of (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide?
(Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 24867440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).