N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide

C26H27FN4O3S — CID 58500012

IUPACN-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide
SMILESCCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27FN4O3S/c1-3-31-25(28-29-26(31)34-23-16-14-22(27)15-17-23)19(2)30-35(32,33)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24,30H,3,18H2,1-2H3/t19-/m1/s1
InChIKeyBWYVDCZTHQMYHQ-LJQANCHMSA-N
MW494.59 g/mol
LogP5.04
Rot. Bonds10

About N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide

N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide (PubChem CID 58500012) has the molecular formula C26H27FN4O3S and a molecular weight of 494.59 g/mol. Its IUPAC name is N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide
PubChem CID58500012
Molecular FormulaC26H27FN4O3S
Molecular Weight494.59 g/mol
Exact Mass494.18
IUPAC NameN-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide
SMILESCCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27FN4O3S/c1-3-31-25(28-29-26(31)34-23-16-14-22(27)15-17-23)19(2)30-35(32,33)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24,30H,3,18H2,1-2H3/t19-/m1/s1
InChIKeyBWYVDCZTHQMYHQ-LJQANCHMSA-N
XLogP5.04
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 58499439
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 58499365
1-(3,4-dichlorophenyl)-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 58499766
4-(difluoromethoxy)-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499838
5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide
CID 58499537
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,5-dimethylthiophene-3-sulfonamide
CID 58499880
2,4-dibromo-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58500077
5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]naphthalene-2-sulfonamide
CID 58499522
N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]ethanesulfonamide
CID 58499955
3,4-dichloro-N-[(1S)-1-[4-ethyl-5-(4-methylphenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499764
N-[1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethenyl]-2-phenylethanesulfonamide
CID 123957368
1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]-2,2,2-trifluoroethanamine;hydrochloride
CID 67389243

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide?
The IUPAC name of N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide (CID 58500012) is N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide?
The canonical SMILES for N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide is CCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide?
The InChIKey is BWYVDCZTHQMYHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27FN4O3S/c1-3-31-25(28-29-26(31)34-23-16-14-22(27)15-17-23)19(2)30-35(32,33)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,19,24,30H,3,18H2,1-2H3/t19-/m1/s1.
What are the key properties of N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide?
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide has a molecular weight of 494.59 g/mol, XLogP of 5.04, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide is sourced from PubChem (CID 58500012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).