2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide

C14H8F7NO3S — CID 4984988

IUPAC2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8F7NO3S/c15-9-5-6-10(12(17)11(9)16)26(23,24)22-7-1-3-8(4-2-7)25-14(20,21)13(18)19/h1-6,13,22H
InChIKeyXCASXQHMPHKVKZ-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.14
Rot. Bonds6

About 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide

2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide (PubChem CID 4984988) has the molecular formula C14H8F7NO3S and a molecular weight of 403.28 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
PubChem CID4984988
Molecular FormulaC14H8F7NO3S
Molecular Weight403.28 g/mol
Exact Mass403.01
IUPAC Name2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H8F7NO3S/c15-9-5-6-10(12(17)11(9)16)26(23,24)22-7-1-3-8(4-2-7)25-14(20,21)13(18)19/h1-6,13,22H
InChIKeyXCASXQHMPHKVKZ-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 4846605
N-[4-(difluoromethoxy)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 2542290
2,3,4-trifluoro-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951370
2,3,4-trifluoro-N-[4-(hydroxymethyl)phenyl]benzenesulfonamide
CID 3588933
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 3861332
2,3,4,5-tetrafluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 15485024
N-[4-(cyclopropylsulfamoyl)phenyl]-2,3,4-trifluorobenzenesulfonamide
CID 24602915
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302
1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 26985388

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide (CID 4984988) is 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)C(F)F)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The InChIKey is XCASXQHMPHKVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F7NO3S/c15-9-5-6-10(12(17)11(9)16)26(23,24)22-7-1-3-8(4-2-7)25-14(20,21)13(18)19/h1-6,13,22H.
What are the key properties of 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide has a molecular weight of 403.28 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 4984988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).