1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene

C16H15N3O3S — CID 23508390

IUPAC1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\C#N)c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-16-8-2-12(3-9-16)10-14(11-17)13-4-6-15(7-5-13)19-23(18,20)21/h2-10,19H,1H3,(H2,18,20,21)/b14-10+
InChIKeyZXDUOGCUYSDDHI-GXDHUFHOSA-N
MW329.38 g/mol
LogP2.37
Rot. Bonds5

About 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene

1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene (PubChem CID 23508390) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
PubChem CID23508390
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene
SMILESCOc1ccc(/C=C(\C#N)c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C16H15N3O3S/c1-22-16-8-2-12(3-9-16)10-14(11-17)13-4-6-15(7-5-13)19-23(18,20)21/h2-10,19H,1H3,(H2,18,20,21)/b14-10+
InChIKeyZXDUOGCUYSDDHI-GXDHUFHOSA-N
XLogP2.37
TPSA105.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
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-[(E)-2-cyano-2-(4-methoxyphenyl)ethenyl]phenoxy]acetic acid
CID 92939823
(Z)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 124669632
2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 68944818
(E)-2-(4-bromophenyl)-1-cyano-N-(4-methoxyphenyl)ethenesulfonamide
CID 25052714
[4-[(Z)-1-cyano-2-phenylethenyl]phenyl] sulfamate
CID 23508524
(E)-2-(4-methoxyphenyl)but-2-enedinitrile
CID 101444835
2-(4-methoxyphenyl)but-2-enedinitrile
CID 54310324
(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
(Z)-1-cyano-2-(3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 68942999
(E)-3-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)prop-2-enenitrile
CID 22302618
(Z)-3-(6-methoxynaphthalen-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 6213565
[4-[2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]phenyl] 4-methoxybenzoate
CID 3137911

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene (CID 23508390) is 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene is COc1ccc(/C=C(\C#N)c2ccc(NS(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene?
The InChIKey is ZXDUOGCUYSDDHI-GXDHUFHOSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-22-16-8-2-12(3-9-16)10-14(11-17)13-4-6-15(7-5-13)19-23(18,20)21/h2-10,19H,1H3,(H2,18,20,21)/b14-10+.
What are the key properties of 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene?
1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene has a molecular weight of 329.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-cyano-2-[4-(sulfamoylamino)phenyl]ethenyl]-4-methoxybenzene is sourced from PubChem (CID 23508390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).