2,3-diphenylprop-2-enylsulfamic acid

C15H15NO3S — CID 174655398

IUPAC2,3-diphenylprop-2-enylsulfamic acid
SMILESO=S(=O)(O)NCC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-20(18,19)16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11,16H,12H2,(H,17,18,19)
InChIKeyIFBUOSBDSKRBDT-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.62
Rot. Bonds5

About 2,3-diphenylprop-2-enylsulfamic acid

2,3-diphenylprop-2-enylsulfamic acid (PubChem CID 174655398) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2,3-diphenylprop-2-enylsulfamic acid.

Molecular Properties

Compound Name2,3-diphenylprop-2-enylsulfamic acid
PubChem CID174655398
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2,3-diphenylprop-2-enylsulfamic acid
SMILESO=S(=O)(O)NCC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-20(18,19)16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11,16H,12H2,(H,17,18,19)
InChIKeyIFBUOSBDSKRBDT-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2,3-diphenylprop-2-enyl]aniline
CID 101023407
(E)-2,3-diphenyl-N-propan-2-ylprop-2-en-1-amine
CID 11402493
1,5-diphenylpenta-1,4-diene-2,4-disulfonic acid
CID 123152820
(Z)-4,5-diphenylpent-4-enal
CID 102069655
(E)-3,4-diphenylbut-3-enethial
CID 87918444
CID 172794141
CID 172794141
1,2-diphenylethenesulfonamide
CID 54513105
4-[[(E)-2,3-diphenylprop-2-enyl]amino]-N-(2-hydroxyethyl)benzamide
CID 177366331
N-[(E)-2,3-diphenylprop-2-enyl]-N-methylformamide
CID 101473048
2-hydroxy-3-phenylprop-2-enoic acid;sulfuric acid
CID 159269897
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
2-phenyl-1-[4-[4-(2-phenyl-1-sulfoethenyl)phenyl]phenyl]ethenesulfonic acid
CID 54085453

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylprop-2-enylsulfamic acid?
The IUPAC name of 2,3-diphenylprop-2-enylsulfamic acid (CID 174655398) is 2,3-diphenylprop-2-enylsulfamic acid.
What is the SMILES notation for 2,3-diphenylprop-2-enylsulfamic acid?
The canonical SMILES for 2,3-diphenylprop-2-enylsulfamic acid is O=S(=O)(O)NCC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2,3-diphenylprop-2-enylsulfamic acid?
The InChIKey is IFBUOSBDSKRBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-20(18,19)16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-11,16H,12H2,(H,17,18,19).
What are the key properties of 2,3-diphenylprop-2-enylsulfamic acid?
2,3-diphenylprop-2-enylsulfamic acid has a molecular weight of 289.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylprop-2-enylsulfamic acid is sourced from PubChem (CID 174655398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).