3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride

C10H8Cl3N3O3S — CID 82910576

IUPAC3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCn1cnnc1COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3O3S/c1-16-5-14-15-9(16)4-19-10-7(11)2-6(3-8(10)12)20(13,17)18/h2-3,5H,4H2,1H3
InChIKeyGUZILOTVJPHUFG-UHFFFAOYSA-N
MW356.62 g/mol
LogP2.63
Rot. Bonds4

About 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride

3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride (PubChem CID 82910576) has the molecular formula C10H8Cl3N3O3S and a molecular weight of 356.62 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
PubChem CID82910576
Molecular FormulaC10H8Cl3N3O3S
Molecular Weight356.62 g/mol
Exact Mass354.94
IUPAC Name3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride
SMILESCn1cnnc1COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C10H8Cl3N3O3S/c1-16-5-14-15-9(16)4-19-10-7(11)2-6(3-8(10)12)20(13,17)18/h2-3,5H,4H2,1H3
InChIKeyGUZILOTVJPHUFG-UHFFFAOYSA-N
XLogP2.63
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride?
The IUPAC name of 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride (CID 82910576) is 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride.
What is the SMILES notation for 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride?
The canonical SMILES for 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride is Cn1cnnc1COc1c(Cl)cc(S(=O)(=O)Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride?
The InChIKey is GUZILOTVJPHUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O3S/c1-16-5-14-15-9(16)4-19-10-7(11)2-6(3-8(10)12)20(13,17)18/h2-3,5H,4H2,1H3.
What are the key properties of 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride?
3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride has a molecular weight of 356.62 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonyl chloride is sourced from PubChem (CID 82910576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).