5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

C10H10ClN3O2S2 — CID 749915

IUPAC5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3O2S2/c11-7-1-3-8(4-2-7)18(15,16)6-5-9-13-14-10(12)17-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyAMCSEFQQBFHGQL-UHFFFAOYSA-N
MW303.80 g/mol
LogP1.79
Rot. Bonds4

About 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine

5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 749915) has the molecular formula C10H10ClN3O2S2 and a molecular weight of 303.80 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
PubChem CID749915
Molecular FormulaC10H10ClN3O2S2
Molecular Weight303.80 g/mol
Exact Mass302.99
IUPAC Name5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H10ClN3O2S2/c11-7-1-3-8(4-2-7)18(15,16)6-5-9-13-14-10(12)17-9/h1-4H,5-6H2,(H2,12,14)
InChIKeyAMCSEFQQBFHGQL-UHFFFAOYSA-N
XLogP1.79
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine (CID 749915) is 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AMCSEFQQBFHGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S2/c11-7-1-3-8(4-2-7)18(15,16)6-5-9-13-14-10(12)17-9/h1-4H,5-6H2,(H2,12,14).
What are the key properties of 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine?
5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 303.80 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)sulfonylethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 749915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).