5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide

C11H10ClN3O2S2 — CID 11861911

IUPAC5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide
SMILESCCNC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2S2/c1-2-13-10(16)9-11(18-15-14-9)19(17)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,13,16)/t19-/m0/s1
InChIKeyPXAJDEFCXIEJBV-IBGZPJMESA-N
MW315.81 g/mol
LogP2.11
Rot. Bonds4

About 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide

5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide (PubChem CID 11861911) has the molecular formula C11H10ClN3O2S2 and a molecular weight of 315.81 g/mol. Its IUPAC name is 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide
PubChem CID11861911
Molecular FormulaC11H10ClN3O2S2
Molecular Weight315.81 g/mol
Exact Mass314.99
IUPAC Name5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide
SMILESCCNC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2S2/c1-2-13-10(16)9-11(18-15-14-9)19(17)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,13,16)/t19-/m0/s1
InChIKeyPXAJDEFCXIEJBV-IBGZPJMESA-N
XLogP2.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide?
The IUPAC name of 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide (CID 11861911) is 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide?
The canonical SMILES for 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide is CCNC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide?
The InChIKey is PXAJDEFCXIEJBV-IBGZPJMESA-N. The full InChI is InChI=1S/C11H10ClN3O2S2/c1-2-13-10(16)9-11(18-15-14-9)19(17)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,13,16)/t19-/m0/s1.
What are the key properties of 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide?
5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide has a molecular weight of 315.81 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-(4-chlorophenyl)sulfinyl]-N-ethylthiadiazole-4-carboxamide is sourced from PubChem (CID 11861911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).