2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide

C23H24ClN5O4S2 — CID 134541219

IUPAC2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide
SMILESCCc1csc(-c2nnc(NS(=O)(=O)CCc3ccc(Cl)cc3)n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C23H24ClN5O4S2/c1-4-17-14-34-22(25-17)21-26-27-23(29(21)20-18(32-2)6-5-7-19(20)33-3)28-35(30,31)13-12-15-8-10-16(24)11-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,27,28)
InChIKeyPWSMJFIJDHBKEW-UHFFFAOYSA-N
MW534.06 g/mol
LogP4.61
Rot. Bonds10

About 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide

2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide (PubChem CID 134541219) has the molecular formula C23H24ClN5O4S2 and a molecular weight of 534.06 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide
PubChem CID134541219
Molecular FormulaC23H24ClN5O4S2
Molecular Weight534.06 g/mol
Exact Mass533.10
IUPAC Name2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide
SMILESCCc1csc(-c2nnc(NS(=O)(=O)CCc3ccc(Cl)cc3)n2-c2c(OC)cccc2OC)n1
InChIInChI=1S/C23H24ClN5O4S2/c1-4-17-14-34-22(25-17)21-26-27-23(29(21)20-18(32-2)6-5-7-19(20)33-3)28-35(30,31)13-12-15-8-10-16(24)11-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,27,28)
InChIKeyPWSMJFIJDHBKEW-UHFFFAOYSA-N
XLogP4.61
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.06
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-2-(5-fluoropyrimidin-2-yl)ethanesulfonamide
CID 134541919
2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-[5-(methoxymethyl)furan-2-yl]-1,2,4-triazol-3-yl]ethanesulfonamide
CID 134543802
N-[5-[2-(4-chlorophenyl)-6-methyl-3-pyridinyl]-4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]ethanesulfonamide
CID 140772562
N-[2-(4-chlorophenyl)ethylsulfanyl]-4-(2,6-dimethoxyphenyl)-5-(5-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-amine
CID 142359501
N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-oxopropane-1-sulfonamide
CID 134542365
(2S)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)propane-2-sulfonamide
CID 134543004
3-[2-(4-chlorophenyl)ethylsulfonylmethyl]-4-(2,6-dimethoxyphenyl)-5-(2-fluorophenyl)-1,2,4-triazole
CID 161196940
N-[2-(4-chlorophenyl)ethylsulfanyl]-4-(2,6-dimethoxyphenyl)-5-(2-fluorophenyl)-1,2,4-triazol-3-amine
CID 142353965
N-[5-(5-chloro-3-pyridinyl)-4-(2,6-dimethoxyphenyl)-1,2,4-triazol-3-yl]-2-(2-cyano-4-fluorophenyl)ethanesulfonamide
CID 122702242
(1R,2R)-N-[4-(2,6-dimethoxyphenyl)-5-(4-methyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]-1-(5-fluoropyrimidin-2-yl)-1-hydroxypropane-2-sulfonamide
CID 134542207
3-[2-(4-chlorophenyl)ethylsulfonylmethyl]-4-(2-ethyl-6-methoxyphenyl)-5-(furan-2-yl)-1,2,4-triazole
CID 158535319
3-cyclopentyl-N-[4-(2,6-dimethoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-3-hydroxypropane-1-sulfonamide
CID 134542016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide (CID 134541219) is 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide is CCc1csc(-c2nnc(NS(=O)(=O)CCc3ccc(Cl)cc3)n2-c2c(OC)cccc2OC)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide?
The InChIKey is PWSMJFIJDHBKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4S2/c1-4-17-14-34-22(25-17)21-26-27-23(29(21)20-18(32-2)6-5-7-19(20)33-3)28-35(30,31)13-12-15-8-10-16(24)11-9-15/h5-11,14H,4,12-13H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide?
2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide has a molecular weight of 534.06 g/mol, XLogP of 4.61, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(2,6-dimethoxyphenyl)-5-(4-ethyl-1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]ethanesulfonamide is sourced from PubChem (CID 134541219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).