4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide

C13H9ClF3NO3S2 — CID 167764136

IUPAC4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide
SMILESCOc1cc(F)c(F)cc1Sc1cc(Cl)c(F)cc1S(N)(=O)=O
InChIInChI=1S/C13H9ClF3NO3S2/c1-21-10-3-8(16)9(17)4-11(10)22-12-2-6(14)7(15)5-13(12)23(18,19)20/h2-5H,1H3,(H2,18,19,20)
InChIKeyRCPGGPOWCUITEN-UHFFFAOYSA-N
MW383.80 g/mol
LogP3.56
Rot. Bonds4

About 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide

4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide (PubChem CID 167764136) has the molecular formula C13H9ClF3NO3S2 and a molecular weight of 383.80 g/mol. Its IUPAC name is 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide
PubChem CID167764136
Molecular FormulaC13H9ClF3NO3S2
Molecular Weight383.80 g/mol
Exact Mass382.97
IUPAC Name4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide
SMILESCOc1cc(F)c(F)cc1Sc1cc(Cl)c(F)cc1S(N)(=O)=O
InChIInChI=1S/C13H9ClF3NO3S2/c1-21-10-3-8(16)9(17)4-11(10)22-12-2-6(14)7(15)5-13(12)23(18,19)20/h2-5H,1H3,(H2,18,19,20)
InChIKeyRCPGGPOWCUITEN-UHFFFAOYSA-N
XLogP3.56
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.80
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-2-fluoro-4-methoxyphenyl) thiohypochlorite
CID 172620902
2-amino-4-fluoro-5-methoxybenzenesulfonamide
CID 18007448
1-tert-butyl-5-chloro-4-fluoro-2-methoxybenzene
CID 177095864
1-chloro-2,4-difluoro-5-methoxybenzene
CID 124706419
4-[2-(4-chloro-3-methoxyphenyl)cyclopenten-1-yl]-2,5-difluorobenzenesulfonamide
CID 22746101
5-chloro-2-(2,5-dibromo-4-methoxyphenoxy)-4-fluoroaniline
CID 79416403
4-chloro-5-fluoro-2-nitrobenzenesulfonamide
CID 66077255
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
5-chloro-2-ethoxy-4-methoxybenzenesulfonamide
CID 23285648
methyl 5-chloro-4-fluoro-2-fluorosulfonylbenzoate
CID 138987747
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide?
The IUPAC name of 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide (CID 167764136) is 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide?
The canonical SMILES for 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide is COc1cc(F)c(F)cc1Sc1cc(Cl)c(F)cc1S(N)(=O)=O.
What is the InChIKey of 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide?
The InChIKey is RCPGGPOWCUITEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO3S2/c1-21-10-3-8(16)9(17)4-11(10)22-12-2-6(14)7(15)5-13(12)23(18,19)20/h2-5H,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide?
4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide has a molecular weight of 383.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-difluoro-2-methoxyphenyl)sulfanyl-5-fluorobenzenesulfonamide is sourced from PubChem (CID 167764136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).