5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate

C16H11NO6S-2 — CID 3385680

IUPAC5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(NS(=O)(=O)C=Cc2ccccc2)cc(C(=O)[O-])c1
InChIInChI=1S/C16H13NO6S/c18-15(19)12-8-13(16(20)21)10-14(9-12)17-24(22,23)7-6-11-4-2-1-3-5-11/h1-10,17H,(H,18,19)(H,20,21)/p-2
InChIKeyPIVKKOHQYLJNQI-UHFFFAOYSA-L
MW345.33 g/mol
LogP-0.17
Rot. Bonds6

About 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate

5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate (PubChem CID 3385680) has the molecular formula C16H11NO6S-2 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate
PubChem CID3385680
Molecular FormulaC16H11NO6S-2
Molecular Weight345.33 g/mol
Exact Mass345.03
IUPAC Name5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate
SMILESO=C([O-])c1cc(NS(=O)(=O)C=Cc2ccccc2)cc(C(=O)[O-])c1
InChIInChI=1S/C16H13NO6S/c18-15(19)12-8-13(16(20)21)10-14(9-12)17-24(22,23)7-6-11-4-2-1-3-5-11/h1-10,17H,(H,18,19)(H,20,21)/p-2
InChIKeyPIVKKOHQYLJNQI-UHFFFAOYSA-L
XLogP-0.17
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-phenylethenylsulfonylamino)phenyl]prop-2-enoate
CID 4741044
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
CID 8538690
4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
CID 77003684
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
2-(2-phenylethenylsulfonylamino)acetate
CID 4137274
methyl 3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]prop-2-enoate
CID 67019599
N-methoxy-N-methyl-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 24542624
N-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540858
N,N-dimethyl-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 2997932
2-(4-fluorophenyl)-N-phenylethenesulfonamide
CID 66810640
4-[[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 9315088
N-(2-methylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 9341925

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate?
The IUPAC name of 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate (CID 3385680) is 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate.
What is the SMILES notation for 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate?
The canonical SMILES for 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate is O=C([O-])c1cc(NS(=O)(=O)C=Cc2ccccc2)cc(C(=O)[O-])c1.
What is the InChIKey of 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate?
The InChIKey is PIVKKOHQYLJNQI-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13NO6S/c18-15(19)12-8-13(16(20)21)10-14(9-12)17-24(22,23)7-6-11-4-2-1-3-5-11/h1-10,17H,(H,18,19)(H,20,21)/p-2.
What are the key properties of 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate?
5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate has a molecular weight of 345.33 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethenylsulfonylamino)benzene-1,3-dicarboxylate is sourced from PubChem (CID 3385680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).