N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide

C18H17ClF3NO3S — CID 164862821

IUPACN-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3S/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-27(24,25)16-8-6-15(7-9-16)26-18(20,21)22/h3-9,12,23H,1-2,10-11H2
InChIKeyXFEGRYKAZNETAV-UHFFFAOYSA-N
MW419.85 g/mol
LogP4.99
Rot. Bonds5

About N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164862821) has the molecular formula C18H17ClF3NO3S and a molecular weight of 419.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164862821
Molecular FormulaC18H17ClF3NO3S
Molecular Weight419.85 g/mol
Exact Mass419.06
IUPAC NameN-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H17ClF3NO3S/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-27(24,25)16-8-6-15(7-9-16)26-18(20,21)22/h3-9,12,23H,1-2,10-11H2
InChIKeyXFEGRYKAZNETAV-UHFFFAOYSA-N
XLogP4.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.85
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]sulfanylcyclopentan-1-amine
CID 167199746
N-[1-(3-chlorophenyl)cyclopentyl]thiophene-2-sulfonamide
CID 110440535
3-chloro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8616640
N-[1-(hydroxymethyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115902946
benzyl 3-(4-chlorophenyl)-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pyrrolidine-1-carboxylate
CID 164862726
N-[(1R,2S)-2-ethyl-1-(3-methylphenyl)cyclopropyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862762
N-[3-(4-chlorophenyl)-1-(3-methylbutyl)pyrrolidin-3-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862866
N-(2,4,5-trichlorophenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154276
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
N-[[(3S)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 164862303
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
N-[4-(2,3-dichlorophenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142178347

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164862821) is N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC1(c2cccc(Cl)c2)CCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XFEGRYKAZNETAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3S/c19-14-5-3-4-13(12-14)17(10-1-2-11-17)23-27(24,25)16-8-6-15(7-9-16)26-18(20,21)22/h3-9,12,23H,1-2,10-11H2.
What are the key properties of N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 419.85 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)cyclopentyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164862821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).