5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide

C13H12ClN3O3S2 — CID 95740908

IUPAC5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S2/c14-9-3-1-8(2-4-9)12-11(16-17-21-12)13(18)15-10-5-6-22(19,20)7-10/h1-4,10H,5-7H2,(H,15,18)/t10-/m1/s1
InChIKeyMFPMWECZECEBTM-SNVBAGLBSA-N
MW357.84 g/mol
LogP1.78
Rot. Bonds3

About 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide

5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide (PubChem CID 95740908) has the molecular formula C13H12ClN3O3S2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide
PubChem CID95740908
Molecular FormulaC13H12ClN3O3S2
Molecular Weight357.84 g/mol
Exact Mass357.00
IUPAC Name5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClN3O3S2/c14-9-3-1-8(2-4-9)12-11(16-17-21-12)13(18)15-10-5-6-22(19,20)7-10/h1-4,10H,5-7H2,(H,15,18)/t10-/m1/s1
InChIKeyMFPMWECZECEBTM-SNVBAGLBSA-N
XLogP1.78
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
4-chloro-N-[[(3S)-1,1-dioxothiolan-3-yl]carbamothioyl]benzamide
CID 42473109
5-chloro-N-(1,1-dioxothiolan-3-yl)-2-(methylamino)benzamide
CID 55042392
3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768802
3-(4-chlorophenyl)-N-(1,1-dioxothian-3-yl)-1H-pyrazole-5-carboxamide
CID 127319581
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
3-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 3108456
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
(E)-3-[5-(4-chlorophenyl)thiophen-2-yl]-N-(1,1-dioxothiolan-3-yl)prop-2-enamide
CID 42945686

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide (CID 95740908) is 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)c1nnsc1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide?
The InChIKey is MFPMWECZECEBTM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12ClN3O3S2/c14-9-3-1-8(2-4-9)12-11(16-17-21-12)13(18)15-10-5-6-22(19,20)7-10/h1-4,10H,5-7H2,(H,15,18)/t10-/m1/s1.
What are the key properties of 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide?
5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 95740908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).