2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide

C14H12F4N2O5S2 — CID 54199347

IUPAC2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(NS(C)(=O)=O)c(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O5S2/c1-25-8-5-3-7(4-6-8)19-27(23,24)14-11(17)9(15)13(10(16)12(14)18)20-26(2,21)22/h3-6,19-20H,1-2H3
InChIKeyPOCLSEVDBOOLEM-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.42
Rot. Bonds6

About 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide

2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 54199347) has the molecular formula C14H12F4N2O5S2 and a molecular weight of 428.39 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID54199347
Molecular FormulaC14H12F4N2O5S2
Molecular Weight428.39 g/mol
Exact Mass428.01
IUPAC Name2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(F)c(F)c(NS(C)(=O)=O)c(F)c2F)cc1
InChIInChI=1S/C14H12F4N2O5S2/c1-25-8-5-3-7(4-6-8)19-27(23,24)14-11(17)9(15)13(10(16)12(14)18)20-26(2,21)22/h3-6,19-20H,1-2H3
InChIKeyPOCLSEVDBOOLEM-UHFFFAOYSA-N
XLogP2.42
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,3,5,6-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485022
6-bromo-2,3,4-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 22465610
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
2-bromo-4,6-difluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 40645404
N-[4-(2,6-difluoroanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112990245
4-methoxy-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 3876115
N-(6-fluoro-3-pyridinyl)-4-methoxybenzenesulfonamide
CID 103775697
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
2-(4-methoxyphenyl)-N-(2,3,4,5,6-pentafluorophenyl)ethenesulfonamide
CID 173031233
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
1,1,2,2,3,3,3-heptafluoro-N-(4-methoxyphenyl)propane-1-sulfonamide
CID 129295016

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide (CID 54199347) is 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2c(F)c(F)c(NS(C)(=O)=O)c(F)c2F)cc1.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is POCLSEVDBOOLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O5S2/c1-25-8-5-3-7(4-6-8)19-27(23,24)14-11(17)9(15)13(10(16)12(14)18)20-26(2,21)22/h3-6,19-20H,1-2H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide?
2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 428.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(methanesulfonamido)-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 54199347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).