N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H19ClF3NO3S — CID 164861807

IUPACN-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1cccc(Cl)c1)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19ClF3NO3S/c20-15-7-3-6-14(12-15)18(13-4-1-2-5-13)24-28(25,26)17-10-8-16(9-11-17)27-19(21,22)23/h3,6-13,18,24H,1-2,4-5H2
InChIKeyXJZZMZDNYKKESS-UHFFFAOYSA-N
MW433.88 g/mol
LogP5.45
Rot. Bonds6

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

N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 164861807) has the molecular formula C19H19ClF3NO3S and a molecular weight of 433.88 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID164861807
Molecular FormulaC19H19ClF3NO3S
Molecular Weight433.88 g/mol
Exact Mass433.07
IUPAC NameN-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NC(c1cccc(Cl)c1)C1CCCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H19ClF3NO3S/c20-15-7-3-6-14(12-15)18(13-4-1-2-5-13)24-28(25,26)17-10-8-16(9-11-17)27-19(21,22)23/h3,6-13,18,24H,1-2,4-5H2
InChIKeyXJZZMZDNYKKESS-UHFFFAOYSA-N
XLogP5.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.88
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 164861807) is N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NC(c1cccc(Cl)c1)C1CCCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is XJZZMZDNYKKESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3NO3S/c20-15-7-3-6-14(12-15)18(13-4-1-2-5-13)24-28(25,26)17-10-8-16(9-11-17)27-19(21,22)23/h3,6-13,18,24H,1-2,4-5H2.
What are the key properties of N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 433.88 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-cyclopentylmethyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 164861807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).