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

C18H17ClF2N4O3S — CID 58499537

IUPAC5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide
SMILESCCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C18H17ClF2N4O3S/c1-3-25-17(22-23-18(25)28-14-7-5-13(20)6-8-14)11(2)24-29(26,27)16-10-12(19)4-9-15(16)21/h4-11,24H,3H2,1-2H3/t11-/m1/s1
InChIKeyMCSANUZNJVGRMA-LLVKDONJSA-N
MW442.88 g/mol
LogP4.06
Rot. Bonds7

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

5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide (PubChem CID 58499537) has the molecular formula C18H17ClF2N4O3S and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide
PubChem CID58499537
Molecular FormulaC18H17ClF2N4O3S
Molecular Weight442.88 g/mol
Exact Mass442.07
IUPAC Name5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide
SMILESCCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C18H17ClF2N4O3S/c1-3-25-17(22-23-18(25)28-14-7-5-13(20)6-8-14)11(2)24-29(26,27)16-10-12(19)4-9-15(16)21/h4-11,24H,3H2,1-2H3/t11-/m1/s1
InChIKeyMCSANUZNJVGRMA-LLVKDONJSA-N
XLogP4.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

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
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-4-propan-2-ylbenzenesulfonamide
CID 58499365
4-(difluoromethoxy)-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499838
1-(3,4-dichlorophenyl)-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 58499766
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-4-phenylbenzenesulfonamide
CID 58499439
5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]naphthalene-2-sulfonamide
CID 58499522
5-chloro-N-[(1R)-1-[4-ethyl-5-(1H-indol-6-yloxy)-1,2,4-triazol-3-yl]ethyl]-2,4-difluorobenzenesulfonamide
CID 58500117
3,4-dichloro-N-[(1S)-1-[4-ethyl-5-(4-methylphenoxy)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499764
N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2,2-diphenylethanesulfonamide
CID 58500012
3,4-dichloro-N-[(1R)-1-[5-[4-(dimethylamino)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 58499711
3,4-dichloro-N-[(1R)-1-[5-(3,4-dimethylphenoxy)-4-ethyl-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide
CID 24859106

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide (CID 58499537) is 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide is CCn1c(Oc2ccc(F)cc2)nnc1[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is MCSANUZNJVGRMA-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClF2N4O3S/c1-3-25-17(22-23-18(25)28-14-7-5-13(20)6-8-14)11(2)24-29(26,27)16-10-12(19)4-9-15(16)21/h4-11,24H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide?
5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 442.88 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-[4-ethyl-5-(4-fluorophenoxy)-1,2,4-triazol-3-yl]ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 58499537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).