2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole

C10H7ClF2N2O2S2 — CID 167914489

IUPAC2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(C(F)F)s1)c1cccc(Cl)c1
InChIInChI=1S/C10H7ClF2N2O2S2/c11-6-2-1-3-7(4-6)19(16,17)5-8-14-15-10(18-8)9(12)13/h1-4,9H,5H2
InChIKeyYNMHFAIWLFOCLQ-UHFFFAOYSA-N
MW324.76 g/mol
LogP3.10
Rot. Bonds4

About 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole

2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole (PubChem CID 167914489) has the molecular formula C10H7ClF2N2O2S2 and a molecular weight of 324.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole
PubChem CID167914489
Molecular FormulaC10H7ClF2N2O2S2
Molecular Weight324.76 g/mol
Exact Mass323.96
IUPAC Name2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole
SMILESO=S(=O)(Cc1nnc(C(F)F)s1)c1cccc(Cl)c1
InChIInChI=1S/C10H7ClF2N2O2S2/c11-6-2-1-3-7(4-6)19(16,17)5-8-14-15-10(18-8)9(12)13/h1-4,9H,5H2
InChIKeyYNMHFAIWLFOCLQ-UHFFFAOYSA-N
XLogP3.10
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole (CID 167914489) is 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole is O=S(=O)(Cc1nnc(C(F)F)s1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole?
The InChIKey is YNMHFAIWLFOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2O2S2/c11-6-2-1-3-7(4-6)19(16,17)5-8-14-15-10(18-8)9(12)13/h1-4,9H,5H2.
What are the key properties of 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole?
2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole has a molecular weight of 324.76 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonylmethyl]-5-(difluoromethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 167914489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).