N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

C19H22F3NO4S2 — CID 100721790

IUPACN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)s1
InChIInChI=1S/C19H22F3NO4S2/c1-13(24)16-8-9-17(28-16)18(10-2-3-11-18)12-23-29(25,26)15-6-4-14(5-7-15)27-19(20,21)22/h4-9,13,23-24H,2-3,10-12H2,1H3/t13-/m1/s1
InChIKeyWFVFHQSRHVKKSC-CYBMUJFWSA-N
MW449.52 g/mol
LogP4.49
Rot. Bonds7

About N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 100721790) has the molecular formula C19H22F3NO4S2 and a molecular weight of 449.52 g/mol. Its IUPAC name is N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID100721790
Molecular FormulaC19H22F3NO4S2
Molecular Weight449.52 g/mol
Exact Mass449.09
IUPAC NameN-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESC[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)s1
InChIInChI=1S/C19H22F3NO4S2/c1-13(24)16-8-9-17(28-16)18(10-2-3-11-18)12-23-29(25,26)15-6-4-14(5-7-15)27-19(20,21)22/h4-9,13,23-24H,2-3,10-12H2,1H3/t13-/m1/s1
InChIKeyWFVFHQSRHVKKSC-CYBMUJFWSA-N
XLogP4.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Related Compounds

N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-4-nitrobenzenesulfonamide
CID 121179152
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 121179165
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]propane-1-sulfonamide
CID 121179107
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 121179187
2,5-difluoro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]benzenesulfonamide
CID 121179138
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 91817514
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2,4,6-trimethylbenzenesulfonamide
CID 121179144
5-chloro-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]thiophene-2-sulfonamide
CID 121179141
N-[[1-[5-[(1S)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 100721577
1-(4-fluorophenyl)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]methanesulfonamide
CID 121179132
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 121179202
(E)-N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-2-phenylethenesulfonamide
CID 121179119

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 100721790) is N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCCC2)s1.
What is the InChIKey of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is WFVFHQSRHVKKSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22F3NO4S2/c1-13(24)16-8-9-17(28-16)18(10-2-3-11-18)12-23-29(25,26)15-6-4-14(5-7-15)27-19(20,21)22/h4-9,13,23-24H,2-3,10-12H2,1H3/t13-/m1/s1.
What are the key properties of N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 449.52 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-[(1R)-1-hydroxyethyl]thiophen-2-yl]cyclopentyl]methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 100721790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).