5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide

C10H12Cl2N2O4S2 — CID 64608959

IUPAC5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C10H12Cl2N2O4S2/c1-10(2-3-19(15,16)6-10)14-20(17,18)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3
InChIKeyVHPIWOMPTNQELB-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.24
Rot. Bonds3

About 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide

5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide (PubChem CID 64608959) has the molecular formula C10H12Cl2N2O4S2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
PubChem CID64608959
Molecular FormulaC10H12Cl2N2O4S2
Molecular Weight359.26 g/mol
Exact Mass357.96
IUPAC Name5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCS(=O)(=O)C1
InChIInChI=1S/C10H12Cl2N2O4S2/c1-10(2-3-19(15,16)6-10)14-20(17,18)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3
InChIKeyVHPIWOMPTNQELB-UHFFFAOYSA-N
XLogP1.24
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5,6-dichloro-N-(3-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 115767149
N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 47331328
5-chloro-1-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)imidazole-4-sulfonamide
CID 47164704
4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide
CID 75440460
5-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-3-sulfonamide
CID 64602451
3-amino-2-bromo-5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 62955675
3-amino-5-chloro-2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 103051221
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 31334214
5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 65020589
3,5-dimethyl-N-(3-methyl-1,1-dioxothiolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 60700277

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide (CID 64608959) is 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)CCS(=O)(=O)C1.
What is the InChIKey of 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
The InChIKey is VHPIWOMPTNQELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O4S2/c1-10(2-3-19(15,16)6-10)14-20(17,18)7-4-8(11)9(12)13-5-7/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide?
5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide has a molecular weight of 359.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 64608959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).