4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide

C18H12ClFN2O5S — CID 2797528

IUPAC4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClFN2O5S/c19-16-2-1-3-17(22(23)24)18(16)27-14-8-10-15(11-9-14)28(25,26)21-13-6-4-12(20)5-7-13/h1-11,21H
InChIKeyWEMPXLSEJQDIQU-UHFFFAOYSA-N
MW422.82 g/mol
LogP4.98
Rot. Bonds6

About 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide

4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 2797528) has the molecular formula C18H12ClFN2O5S and a molecular weight of 422.82 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID2797528
Molecular FormulaC18H12ClFN2O5S
Molecular Weight422.82 g/mol
Exact Mass422.01
IUPAC Name4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H12ClFN2O5S/c19-16-2-1-3-17(22(23)24)18(16)27-14-8-10-15(11-9-14)28(25,26)21-13-6-4-12(20)5-7-13/h1-11,21H
InChIKeyWEMPXLSEJQDIQU-UHFFFAOYSA-N
XLogP4.98
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.82
LogP ≤ 54.98
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-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 82865494
4-(2-chlorophenoxy)-N-(4-nitrophenyl)benzenesulfonamide
CID 3535744
(4-chlorophenyl) 4-(2-chloro-6-nitrophenoxy)benzenesulfonate
CID 2797610
4-(2-chloro-6-nitrophenoxy)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 58615654
3-fluoro-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
CID 3865441
1-chloro-2-[(4-fluorophenyl)sulfonylmethyl]-3-nitrobenzene
CID 64717747
N-(2,3-dichlorophenyl)-4-[(4-phenoxyphenyl)sulfonylamino]benzenesulfonamide
CID 43885647
1-[4-(2-chloro-6-nitrophenoxy)phenyl]ethanol
CID 107717274
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
5-(2-chloro-6-nitrophenoxy)-2-nitroaniline
CID 107719254
N-[4-(2-chlorophenoxy)phenyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 3539405
4-methyl-N-[4-[(3-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 40677099

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide (CID 2797528) is 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide is O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is WEMPXLSEJQDIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O5S/c19-16-2-1-3-17(22(23)24)18(16)27-14-8-10-15(11-9-14)28(25,26)21-13-6-4-12(20)5-7-13/h1-11,21H.
What are the key properties of 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide?
4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 422.82 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-nitrophenoxy)-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 2797528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).