2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole

C9H7ClN2O3S2 — CID 10661209

IUPAC2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole
SMILESCOc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C9H7ClN2O3S2/c1-15-6-2-4-7(5-3-6)17(13,14)9-12-11-8(10)16-9/h2-5H,1H3
InChIKeyIRFQOEYJYURLET-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole

2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole (PubChem CID 10661209) has the molecular formula C9H7ClN2O3S2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole
PubChem CID10661209
Molecular FormulaC9H7ClN2O3S2
Molecular Weight290.75 g/mol
Exact Mass289.96
IUPAC Name2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole
SMILESCOc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1
InChIInChI=1S/C9H7ClN2O3S2/c1-15-6-2-4-7(5-3-6)17(13,14)9-12-11-8(10)16-9/h2-5H,1H3
InChIKeyIRFQOEYJYURLET-UHFFFAOYSA-N
XLogP2.03
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole (CID 10661209) is 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole is COc1ccc(S(=O)(=O)c2nnc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole?
The InChIKey is IRFQOEYJYURLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O3S2/c1-15-6-2-4-7(5-3-6)17(13,14)9-12-11-8(10)16-9/h2-5H,1H3.
What are the key properties of 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole?
2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole has a molecular weight of 290.75 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole is sourced from PubChem (CID 10661209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).