4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide

C19H17ClF7NO4S — CID 22203483

IUPAC4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c2)c(C)cc1Cl
InChIInChI=1S/C19H17ClF7NO4S/c1-10-4-16(11(2)3-15(10)20)33(29,30)28-12-5-13(31-8-18(23,24)17(21)22)7-14(6-12)32-9-19(25,26)27/h3-7,17,28H,8-9H2,1-2H3
InChIKeyHTOCOJGXWOEPDF-UHFFFAOYSA-N
MW523.85 g/mol
LogP5.98
Rot. Bonds9

About 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide

4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide (PubChem CID 22203483) has the molecular formula C19H17ClF7NO4S and a molecular weight of 523.85 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
PubChem CID22203483
Molecular FormulaC19H17ClF7NO4S
Molecular Weight523.85 g/mol
Exact Mass523.05
IUPAC Name4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c2)c(C)cc1Cl
InChIInChI=1S/C19H17ClF7NO4S/c1-10-4-16(11(2)3-15(10)20)33(29,30)28-12-5-13(31-8-18(23,24)17(21)22)7-14(6-12)32-9-19(25,26)27/h3-7,17,28H,8-9H2,1-2H3
InChIKeyHTOCOJGXWOEPDF-UHFFFAOYSA-N
XLogP5.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.85
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 22203529
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide
CID 22203437
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]butane-1-sulfonamide
CID 22203475
N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]quinoline-8-sulfonamide
CID 22203469
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
4-chloro-N-(3,5-dichlorophenyl)-2,5-dimethylbenzenesulfonamide
CID 22773548
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-ethylbenzenesulfonamide
CID 22203492
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
4-chloro-N-[4-(diethylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 3810600
4-chloro-N-(2-hydroxypropyl)-2,5-dimethylbenzenesulfonamide
CID 3465021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide (CID 22203483) is 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c2)c(C)cc1Cl.
What is the InChIKey of 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
The InChIKey is HTOCOJGXWOEPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF7NO4S/c1-10-4-16(11(2)3-15(10)20)33(29,30)28-12-5-13(31-8-18(23,24)17(21)22)7-14(6-12)32-9-19(25,26)27/h3-7,17,28H,8-9H2,1-2H3.
What are the key properties of 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide?
4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide has a molecular weight of 523.85 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxy)-5-(2,2,2-trifluoroethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 22203483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).