N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H18F3NO3S — CID 3861014

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H18F3NO3S/c1-12-3-4-14(13(2)11-12)9-10-21-25(22,23)16-7-5-15(6-8-16)24-17(18,19)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyCWXHCZYNCTVGFQ-UHFFFAOYSA-N
MW373.40 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 3861014) has the molecular formula C17H18F3NO3S and a molecular weight of 373.40 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID3861014
Molecular FormulaC17H18F3NO3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESCc1ccc(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C17H18F3NO3S/c1-12-3-4-14(13(2)11-12)9-10-21-25(22,23)16-7-5-15(6-8-16)24-17(18,19)20/h3-8,11,21H,9-10H2,1-2H3
InChIKeyCWXHCZYNCTVGFQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 9301745
3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3669015
N-[2-(2,4-dimethylphenyl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 3865899
N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 26539867
N-[2-(2,4-dimethylphenyl)ethyl]ethanesulfonamide
CID 47429985
3-acetyl-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 48629818
2-chloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3685302
N-[1-(4-methylphenyl)ethyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55577678
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
2-[4-[(2,4-dimethylphenyl)methylsulfamoyl]phenoxy]acetic acid
CID 138041758
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 3861014) is N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is Cc1ccc(CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is CWXHCZYNCTVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO3S/c1-12-3-4-14(13(2)11-12)9-10-21-25(22,23)16-7-5-15(6-8-16)24-17(18,19)20/h3-8,11,21H,9-10H2,1-2H3.
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 373.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 3861014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).