N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide

C21H21ClN4O3S2 — CID 22584853

IUPACN-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1
InChIInChI=1S/C21H21ClN4O3S2/c1-3-29-17-8-10-18(11-9-17)31(27,28)23-13-12-19-14(2)26-21(30-19)24-20(25-26)15-4-6-16(22)7-5-15/h4-11,23H,3,12-13H2,1-2H3
InChIKeyUWXGUXXBPVKPAN-UHFFFAOYSA-N
MW477.01 g/mol
LogP4.34
Rot. Bonds8

About N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide

N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide (PubChem CID 22584853) has the molecular formula C21H21ClN4O3S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
PubChem CID22584853
Molecular FormulaC21H21ClN4O3S2
Molecular Weight477.01 g/mol
Exact Mass476.07
IUPAC NameN-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1
InChIInChI=1S/C21H21ClN4O3S2/c1-3-29-17-8-10-18(11-9-17)31(27,28)23-13-12-19-14(2)26-21(30-19)24-20(25-26)15-4-6-16(22)7-5-15/h4-11,23H,3,12-13H2,1-2H3
InChIKeyUWXGUXXBPVKPAN-UHFFFAOYSA-N
XLogP4.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.01
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]benzenesulfonamide
CID 22584837
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]naphthalene-2-sulfonamide
CID 22584839
N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 22584843
4-chloro-N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]benzenesulfonamide
CID 22584380
N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-methylbenzamide
CID 7287073
4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-ethylbenzenesulfonamide
CID 20965733
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
N-[2-[2-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 22584390
N'-(4-acetamidophenyl)-N-[2-[2-(4-methoxyphenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]oxamide
CID 44827461
2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate
CID 6927290
4-butoxy-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
CID 22583786

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide (CID 22584853) is N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide?
The InChIKey is UWXGUXXBPVKPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3S2/c1-3-29-17-8-10-18(11-9-17)31(27,28)23-13-12-19-14(2)26-21(30-19)24-20(25-26)15-4-6-16(22)7-5-15/h4-11,23H,3,12-13H2,1-2H3.
What are the key properties of N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide?
N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide has a molecular weight of 477.01 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 22584853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).