4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene

C15H11Cl2NO5S — CID 134107424

IUPAC4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2NO5S/c1-2-7-24(21,22)15-9-11(4-5-13(15)18(19)20)23-14-6-3-10(16)8-12(14)17/h2-6,8-9H,1,7H2
InChIKeyDDJAWWLKDVBBNK-UHFFFAOYSA-N
MW388.23 g/mol
LogP4.65
Rot. Bonds6

About 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene

4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene (PubChem CID 134107424) has the molecular formula C15H11Cl2NO5S and a molecular weight of 388.23 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
PubChem CID134107424
Molecular FormulaC15H11Cl2NO5S
Molecular Weight388.23 g/mol
Exact Mass386.97
IUPAC Name4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene
SMILESC=CCS(=O)(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H11Cl2NO5S/c1-2-7-24(21,22)15-9-11(4-5-13(15)18(19)20)23-14-6-3-10(16)8-12(14)17/h2-6,8-9H,1,7H2
InChIKeyDDJAWWLKDVBBNK-UHFFFAOYSA-N
XLogP4.65
TPSA86.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-chloro-5-(2,4-dichlorophenoxy)-2-nitroaniline
CID 174878979
2-(2,2-dichloroethenoxy)-4-(2,4-dichlorophenoxy)-1-nitrobenzene
CID 71395855
5-(2,4-dichlorophenoxy)-N,N-dimethyl-2-nitroaniline
CID 13194931
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
2-[[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]methyl]oxirane
CID 71387086
ethyl 2-[4-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]phenoxy]acetate
CID 57105797
5-(2-chloro-4-nitrophenoxy)-2-nitroaniline
CID 106752023
2-[5-(2,4-dichlorophenoxy)-2-nitrophenoxy]-3-sulfanylidenepropanamide
CID 88666214
5-(2,4-dichlorophenoxy)-N-(1-dimethoxyphosphorylethyl)-2-nitroaniline
CID 88685260
5-(4-bromo-2-chlorophenoxy)-2-nitroaniline
CID 106751991
octyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
CID 21486095
4-(benzenesulfonylmethyl)-1-(2,4-dichlorophenoxy)-2-nitrobenzene
CID 2743856

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene?
The IUPAC name of 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene (CID 134107424) is 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene is C=CCS(=O)(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene?
The InChIKey is DDJAWWLKDVBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2NO5S/c1-2-7-24(21,22)15-9-11(4-5-13(15)18(19)20)23-14-6-3-10(16)8-12(14)17/h2-6,8-9H,1,7H2.
What are the key properties of 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene?
4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene has a molecular weight of 388.23 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-1-nitro-2-prop-2-enylsulfonylbenzene is sourced from PubChem (CID 134107424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).