[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate

C15H12N2O3S — CID 23508524

IUPAC[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate
SMILESN#C/C(=C\c1ccccc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H12N2O3S/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)20-21(17,18)19/h1-10H,(H2,17,18,19)/b14-10+
InChIKeyUZKPDTCFGIAKLJ-GXDHUFHOSA-N
MW300.34 g/mol
LogP2.33
Rot. Bonds4

About [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate

[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate (PubChem CID 23508524) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate.

Molecular Properties

Compound Name[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate
PubChem CID23508524
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate
SMILESN#C/C(=C\c1ccccc1)c1ccc(OS(N)(=O)=O)cc1
InChIInChI=1S/C15H12N2O3S/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)20-21(17,18)19/h1-10H,(H2,17,18,19)/b14-10+
InChIKeyUZKPDTCFGIAKLJ-GXDHUFHOSA-N
XLogP2.33
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(Z)-1-cyano-2-phenylethenyl]phenoxy]acetic acid
CID 156772109
(Z)-2-[4-[(Z)-1-cyano-2-(4-phenylphenyl)ethenyl]phenyl]-3-(4-phenylphenyl)prop-2-enenitrile
CID 59189377
(Z)-2,3-bis[4-(1,2,2-triphenylethenyl)phenyl]prop-2-enenitrile
CID 122394128
1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
CID 23508390
4-[(Z)-2-(4-carboxyphenyl)-2-cyanoethenyl]benzoic acid
CID 6256221
(E)-2-phenyl-3-(4-phenylphenyl)prop-2-enenitrile
CID 6450896
(Z)-2-[4-[(Z)-1-cyano-2-[4-(N-(4-methoxyphenyl)anilino)phenyl]ethenyl]phenyl]-3-[4-(N-(4-methoxyphenyl)anilino)phenyl]prop-2-enenitrile;methylsulfinylmethane
CID 139204005
[4-(2,2-dicyanoethenyl)phenyl] benzenesulfonate
CID 22899744
[4-(1-cyano-2-phenylethenyl)phenyl] 2-methylideneoctanoate
CID 175516278
[4-[(E)-2-cyano-2-phenylethenyl]phenyl] 3,4-dimethoxybenzoate
CID 39112650
(Z)-2-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-3-phenylprop-2-enenitrile
CID 134124818
2-[4-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate?
The IUPAC name of [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate (CID 23508524) is [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate.
What is the SMILES notation for [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate?
The canonical SMILES for [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate is N#C/C(=C\c1ccccc1)c1ccc(OS(N)(=O)=O)cc1.
What is the InChIKey of [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate?
The InChIKey is UZKPDTCFGIAKLJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H12N2O3S/c16-11-14(10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)20-21(17,18)19/h1-10H,(H2,17,18,19)/b14-10+.
What are the key properties of [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate?
[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate has a molecular weight of 300.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate is sourced from PubChem (CID 23508524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).