1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene

C14H10ClNO4S — CID 13433968

IUPAC1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10ClNO4S/c15-14(21(19,20)13-4-2-1-3-5-13)10-11-6-8-12(9-7-11)16(17)18/h1-10H/b14-10+
InChIKeyRURVNNOGVMGGHN-GXDHUFHOSA-N
MW323.76 g/mol
LogP3.61
Rot. Bonds4

About 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene

1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene (PubChem CID 13433968) has the molecular formula C14H10ClNO4S and a molecular weight of 323.76 g/mol. Its IUPAC name is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene.

Molecular Properties

Compound Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene
PubChem CID13433968
Molecular FormulaC14H10ClNO4S
Molecular Weight323.76 g/mol
Exact Mass323.00
IUPAC Name1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H10ClNO4S/c15-14(21(19,20)13-4-2-1-3-5-13)10-11-6-8-12(9-7-11)16(17)18/h1-10H/b14-10+
InChIKeyRURVNNOGVMGGHN-GXDHUFHOSA-N
XLogP3.61
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Stattic
CID 2779853
Bis(4-nitrophenyl) sulphone
CID 70871
2-Nitrophenyl phenyl sulfone
CID 64984
4-Mesyl-2-nitrotoluene
CID 687125
4-Nitrophenyl phenyl sulfone
CID 96708
4'-Nitro[1,1'-biphenyl]-4-sulfonamide
CID 59079460
4-Chlorophenyl 4-nitrobenzyl sulfone
CID 2817795
1-Methyl-4-[(4-nitrobenzyl)sulfonyl]benzene
CID 800082
1-Methyl-4-((4-nitrophenyl)sulfonyl)benzene
CID 363134
1-Nitro-4-[(phenylsulfonyl)methyl]benzene
CID 363891
(4-Nitrophenyl)methanesulfonyl chloride
CID 2794642
(4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide
CID 275689

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene?
The IUPAC name of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene (CID 13433968) is 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene.
What is the SMILES notation for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene?
The canonical SMILES for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene is O=[N+]([O-])c1ccc(/C=C(\Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene?
The InChIKey is RURVNNOGVMGGHN-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H10ClNO4S/c15-14(21(19,20)13-4-2-1-3-5-13)10-11-6-8-12(9-7-11)16(17)18/h1-10H/b14-10+.
What are the key properties of 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene?
1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene has a molecular weight of 323.76 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(benzenesulfonyl)-2-chloroethenyl]-4-nitrobenzene is sourced from PubChem (CID 13433968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).