3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide

C16H17F3N2O4S2 — CID 26267871

IUPAC3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H17F3N2O4S2/c1-11-3-6-15(9-12(11)2)27(24,25)21-13-4-7-14(8-5-13)26(22,23)20-10-16(17,18)19/h3-9,20-21H,10H2,1-2H3
InChIKeyUPEWUCWUGJPKBS-UHFFFAOYSA-N
MW422.45 g/mol
LogP2.94
Rot. Bonds6

About 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide

3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 26267871) has the molecular formula C16H17F3N2O4S2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID26267871
Molecular FormulaC16H17F3N2O4S2
Molecular Weight422.45 g/mol
Exact Mass422.06
IUPAC Name3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H17F3N2O4S2/c1-11-3-6-15(9-12(11)2)27(24,25)21-13-4-7-14(8-5-13)26(22,23)20-10-16(17,18)19/h3-9,20-21H,10H2,1-2H3
InChIKeyUPEWUCWUGJPKBS-UHFFFAOYSA-N
XLogP2.94
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3,4-dimethylbenzenesulfonamide
CID 114383921
2-fluoro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267865
N-(4-chlorophenyl)-3,4-dimethylbenzenesulfonamide
CID 7985042
N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
2-chloro-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide
CID 26267887
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-(3,4-dimethylphenyl)-3-(2,2,2-trifluoroethylsulfamoyl)benzamide
CID 17450702
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide (CID 26267871) is 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is UPEWUCWUGJPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O4S2/c1-11-3-6-15(9-12(11)2)27(24,25)21-13-4-7-14(8-5-13)26(22,23)20-10-16(17,18)19/h3-9,20-21H,10H2,1-2H3.
What are the key properties of 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide?
3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 422.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 26267871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).