3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide

C13H9Cl3FNO3S — CID 112811750

IUPAC3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H9Cl3FNO3S/c1-21-13-3-2-7(4-11(13)17)22(19,20)18-12-6-9(15)8(14)5-10(12)16/h2-6,18H,1H3
InChIKeyBGVMKCVORFVNEX-UHFFFAOYSA-N
MW384.64 g/mol
LogP4.60
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide (PubChem CID 112811750) has the molecular formula C13H9Cl3FNO3S and a molecular weight of 384.64 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
PubChem CID112811750
Molecular FormulaC13H9Cl3FNO3S
Molecular Weight384.64 g/mol
Exact Mass382.94
IUPAC Name3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F
InChIInChI=1S/C13H9Cl3FNO3S/c1-21-13-3-2-7(4-11(13)17)22(19,20)18-12-6-9(15)8(14)5-10(12)16/h2-6,18H,1H3
InChIKeyBGVMKCVORFVNEX-UHFFFAOYSA-N
XLogP4.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(5-bromo-2-methoxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 63530508

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide (CID 112811750) is 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
The InChIKey is BGVMKCVORFVNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3FNO3S/c1-21-13-3-2-7(4-11(13)17)22(19,20)18-12-6-9(15)8(14)5-10(12)16/h2-6,18H,1H3.
What are the key properties of 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide has a molecular weight of 384.64 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 112811750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).