4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride

C10H12ClN3O3S2 — CID 113366003

IUPAC4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(Cc2cccs2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClN3O3S2/c1-17-5-4-14-9(7-8-3-2-6-18-8)12-13-10(14)19(11,15)16/h2-3,6H,4-5,7H2,1H3
InChIKeyBLZZGUYUOOPCLC-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.50
Rot. Bonds6

About 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride

4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 113366003) has the molecular formula C10H12ClN3O3S2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID113366003
Molecular FormulaC10H12ClN3O3S2
Molecular Weight321.81 g/mol
Exact Mass321.00
IUPAC Name4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCOCCn1c(Cc2cccs2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H12ClN3O3S2/c1-17-5-4-14-9(7-8-3-2-6-18-8)12-13-10(14)19(11,15)16/h2-3,6H,4-5,7H2,1H3
InChIKeyBLZZGUYUOOPCLC-UHFFFAOYSA-N
XLogP1.50
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyethyl)-5-(propoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107944163
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 107967425
(2S)-N-(2-methoxyethyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8941980
5-(5-fluoro-3-pyridinyl)-4-(2-methoxyethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 104786819
2-chloro-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)pyrimidine-5-sulfonamide
CID 61040679
N-(2-methoxyethoxy)-1-thiophen-2-ylmethanamine
CID 82711494
1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine
CID 154771863
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
3-(chloromethyl)-5-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113301866
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 42596519
4-methyl-3-[2-[(2S)-oxan-2-yl]oxyethylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole
CID 100706985
3-(bromomethyl)-5-[(3-chlorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113302273

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride (CID 113366003) is 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride is COCCn1c(Cc2cccs2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is BLZZGUYUOOPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S2/c1-17-5-4-14-9(7-8-3-2-6-18-8)12-13-10(14)19(11,15)16/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride?
4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 321.81 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 113366003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).