N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide

C18H11ClF2N2O5S — CID 22205497

IUPACN-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11ClF2N2O5S/c19-11-1-4-15(5-2-11)28-16-9-13(8-14(10-16)23(24)25)22-29(26,27)18-6-3-12(20)7-17(18)21/h1-10,22H
InChIKeyCIPKSDNVSBIEQQ-UHFFFAOYSA-N
MW440.81 g/mol
LogP5.12
Rot. Bonds6

About N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide

N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide (PubChem CID 22205497) has the molecular formula C18H11ClF2N2O5S and a molecular weight of 440.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide
PubChem CID22205497
Molecular FormulaC18H11ClF2N2O5S
Molecular Weight440.81 g/mol
Exact Mass440.00
IUPAC NameN-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H11ClF2N2O5S/c19-11-1-4-15(5-2-11)28-16-9-13(8-14(10-16)23(24)25)22-29(26,27)18-6-3-12(20)7-17(18)21/h1-10,22H
InChIKeyCIPKSDNVSBIEQQ-UHFFFAOYSA-N
XLogP5.12
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.81
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-ethoxybenzenesulfonamide
CID 22205482
N-[3-(4-chlorophenoxy)-5-nitrophenyl]thiophene-2-sulfonamide
CID 22205504
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22205488
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
2,4-difluoro-N-[4-(4-methylphenoxy)phenyl]benzenesulfonamide
CID 2494967
[3-(3-chloro-4-fluorophenoxy)-5-nitrophenyl]hydrazine
CID 80921755
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 169371120
2-[3-(4-chlorophenoxy)-5-nitroanilino]ethene-1,1,2-tricarbonitrile
CID 168608688
3-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
CID 3865441
4-methoxy-N-(3-methoxy-5-nitrophenyl)benzenesulfonamide
CID 841402
4-bromo-2-fluoro-N-(3-nitrophenyl)benzenesulfonamide
CID 116528167
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide (CID 22205497) is N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is CIPKSDNVSBIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N2O5S/c19-11-1-4-15(5-2-11)28-16-9-13(8-14(10-16)23(24)25)22-29(26,27)18-6-3-12(20)7-17(18)21/h1-10,22H.
What are the key properties of N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide?
N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 440.81 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22205497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).