N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

C23H21ClF3NO3S — CID 130192949

IUPACN-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(C(C)Oc2ccccc2Cl)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3NO3S/c1-3-28(32(29,30)20-11-7-9-18(15-20)23(25,26)27)19-10-6-8-17(14-19)16(2)31-22-13-5-4-12-21(22)24/h4-16H,3H2,1-2H3
InChIKeyMVLMKFDVWGEGFT-UHFFFAOYSA-N
MW483.94 g/mol
LogP6.71
Rot. Bonds7

About N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide

N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 130192949) has the molecular formula C23H21ClF3NO3S and a molecular weight of 483.94 g/mol. Its IUPAC name is N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID130192949
Molecular FormulaC23H21ClF3NO3S
Molecular Weight483.94 g/mol
Exact Mass483.09
IUPAC NameN-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
SMILESCCN(c1cccc(C(C)Oc2ccccc2Cl)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3NO3S/c1-3-28(32(29,30)20-11-7-9-18(15-20)23(25,26)27)19-10-6-8-17(14-19)16(2)31-22-13-5-4-12-21(22)24/h4-16H,3H2,1-2H3
InChIKeyMVLMKFDVWGEGFT-UHFFFAOYSA-N
XLogP6.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.94
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123900424
N-[3-[2-(2-chloro-6-fluorophenyl)ethoxy]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123304968
N-[3-(cyclohexyloxymethyl)phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide
CID 123764339
N-ethyl-N-[3-(2-phenylethoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 123979056
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
3-chloro-N-ethyl-4-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100513964
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730
ethyl 2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893211
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30304561
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-ethylpropanamide
CID 132696680
(2S)-2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100510889
2-[[2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 132756897

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide (CID 130192949) is N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is CCN(c1cccc(C(C)Oc2ccccc2Cl)c1)S(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MVLMKFDVWGEGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3NO3S/c1-3-28(32(29,30)20-11-7-9-18(15-20)23(25,26)27)19-10-6-8-17(14-19)16(2)31-22-13-5-4-12-21(22)24/h4-16H,3H2,1-2H3.
What are the key properties of N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide?
N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 483.94 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-chlorophenoxy)ethyl]phenyl]-N-ethyl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 130192949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).