N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

C19H20F3NO4S — CID 3268229

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC1CCCC1
InChIInChI=1S/C19H20F3NO4S/c1-26-17-11-8-14(12-18(17)27-15-4-2-3-5-15)23-28(24,25)16-9-6-13(7-10-16)19(20,21)22/h6-12,15,23H,2-5H2,1H3
InChIKeyCGWGQAMWOZRZDR-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.84
Rot. Bonds6

About N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 3268229) has the molecular formula C19H20F3NO4S and a molecular weight of 415.43 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID3268229
Molecular FormulaC19H20F3NO4S
Molecular Weight415.43 g/mol
Exact Mass415.11
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC1CCCC1
InChIInChI=1S/C19H20F3NO4S/c1-26-17-11-8-14(12-18(17)27-15-4-2-3-5-15)23-28(24,25)16-9-6-13(7-10-16)19(20,21)22/h6-12,15,23H,2-5H2,1H3
InChIKeyCGWGQAMWOZRZDR-UHFFFAOYSA-N
XLogP4.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 3268229) is N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CGWGQAMWOZRZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO4S/c1-26-17-11-8-14(12-18(17)27-15-4-2-3-5-15)23-28(24,25)16-9-6-13(7-10-16)19(20,21)22/h6-12,15,23H,2-5H2,1H3.
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 415.43 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 3268229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).