4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole

C13H9ClN2O2S3 — CID 171919184

IUPAC4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole
SMILESO=S(=O)(Cc1ccc(-c2csnn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2S3/c14-9-1-4-11(5-2-9)21(17,18)8-10-3-6-13(20-10)12-7-19-16-15-12/h1-7H,8H2
InChIKeyLZNNJHJGSFPLQU-UHFFFAOYSA-N
MW356.88 g/mol
LogP3.89
Rot. Bonds4

About 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole

4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole (PubChem CID 171919184) has the molecular formula C13H9ClN2O2S3 and a molecular weight of 356.88 g/mol. Its IUPAC name is 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole.

Molecular Properties

Compound Name4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole
PubChem CID171919184
Molecular FormulaC13H9ClN2O2S3
Molecular Weight356.88 g/mol
Exact Mass355.95
IUPAC Name4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole
SMILESO=S(=O)(Cc1ccc(-c2csnn2)s1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN2O2S3/c14-9-1-4-11(5-2-9)21(17,18)8-10-3-6-13(20-10)12-7-19-16-15-12/h1-7H,8H2
InChIKeyLZNNJHJGSFPLQU-UHFFFAOYSA-N
XLogP3.89
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.88
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole?
The IUPAC name of 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole (CID 171919184) is 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole.
What is the SMILES notation for 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole?
The canonical SMILES for 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole is O=S(=O)(Cc1ccc(-c2csnn2)s1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole?
The InChIKey is LZNNJHJGSFPLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S3/c14-9-1-4-11(5-2-9)21(17,18)8-10-3-6-13(20-10)12-7-19-16-15-12/h1-7H,8H2.
What are the key properties of 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole?
4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole has a molecular weight of 356.88 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-chlorophenyl)sulfonylmethyl]thiophen-2-yl]thiadiazole is sourced from PubChem (CID 171919184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).