N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide

C17H18F3NO3S — CID 3374845

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO3S/c1-3-4-12-5-8-14(9-6-12)25(22,23)21-13-7-10-16(24-2)15(11-13)17(18,19)20/h5-11,21H,3-4H2,1-2H3
InChIKeyZVLXVHKBITXHDB-UHFFFAOYSA-N
MW373.40 g/mol
LogP4.47
Rot. Bonds6

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide (PubChem CID 3374845) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
PubChem CID3374845
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H18F3NO3S/c1-3-4-12-5-8-14(9-6-12)25(22,23)21-13-7-10-16(24-2)15(11-13)17(18,19)20/h5-11,21H,3-4H2,1-2H3
InChIKeyZVLXVHKBITXHDB-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-ethylbenzenesulfonamide
CID 3775544
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
3-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 1345813
4-ethyl-N-(2-methoxy-5-propylphenyl)benzenesulfonamide
CID 142273724
2,3,4-trifluoro-N-[4-methoxy-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3778972
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3858047
N-[4-(tert-butylsulfamoyl)phenyl]-4-propylbenzenesulfonamide
CID 17380992
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3841687
4-chloro-N-(4-propylphenyl)benzenesulfonamide
CID 167013208
N-[2-methoxy-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 24580787

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide (CID 3374845) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2ccc(OC)c(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
The InChIKey is ZVLXVHKBITXHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-3-4-12-5-8-14(9-6-12)25(22,23)21-13-7-10-16(24-2)15(11-13)17(18,19)20/h5-11,21H,3-4H2,1-2H3.
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 3374845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).