2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide

C14H9Cl2F4NO3S — CID 3861332

IUPAC2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)C(F)F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2F4NO3S/c15-8-4-5-11(16)12(6-8)25(22,23)21-9-2-1-3-10(7-9)24-14(19,20)13(17)18/h1-7,13,21H
InChIKeyHZQNVJVAYOUSRS-UHFFFAOYSA-N
MW418.20 g/mol
LogP5.03
Rot. Bonds6

About 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide

2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide (PubChem CID 3861332) has the molecular formula C14H9Cl2F4NO3S and a molecular weight of 418.20 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
PubChem CID3861332
Molecular FormulaC14H9Cl2F4NO3S
Molecular Weight418.20 g/mol
Exact Mass416.96
IUPAC Name2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OC(F)(F)C(F)F)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl2F4NO3S/c15-8-4-5-11(16)12(6-8)25(22,23)21-9-2-1-3-10(7-9)24-14(19,20)13(17)18/h1-7,13,21H
InChIKeyHZQNVJVAYOUSRS-UHFFFAOYSA-N
XLogP5.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.20
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-nitro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 3763224
3-chloro-2-fluoro-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 60531938
N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
2,5-dichloro-N-(3-ethynylphenyl)benzenesulfonamide
CID 30284577
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
1-[4-chloro-3-[(3-chlorophenyl)sulfamoyl]phenyl]-3-[4-(difluoromethylsulfanyl)phenyl]thiourea
CID 3544385
2,3,4-trifluoro-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide
CID 4984988
2,5-dichloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41159256
4-[2-[3-[(2,5-dichlorophenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688791
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
2-chloro-5-fluoro-N-phenylbenzenesulfonamide
CID 115610692

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide (CID 3861332) is 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(OC(F)(F)C(F)F)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
The InChIKey is HZQNVJVAYOUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F4NO3S/c15-8-4-5-11(16)12(6-8)25(22,23)21-9-2-1-3-10(7-9)24-14(19,20)13(17)18/h1-7,13,21H.
What are the key properties of 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide?
2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide has a molecular weight of 418.20 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 3861332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).