2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide

C11H15ClN2O2S2 — CID 80527113

IUPAC2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cccnc2Cl)CCCS1
InChIInChI=1S/C11H15ClN2O2S2/c1-11(5-3-7-17-11)8-14-18(15,16)9-4-2-6-13-10(9)12/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyDRVXSYQUWQMZGT-UHFFFAOYSA-N
MW306.84 g/mol
LogP2.30
Rot. Bonds4

About 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide

2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 80527113) has the molecular formula C11H15ClN2O2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID80527113
Molecular FormulaC11H15ClN2O2S2
Molecular Weight306.84 g/mol
Exact Mass306.03
IUPAC Name2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide
SMILESCC1(CNS(=O)(=O)c2cccnc2Cl)CCCS1
InChIInChI=1S/C11H15ClN2O2S2/c1-11(5-3-7-17-11)8-14-18(15,16)9-4-2-6-13-10(9)12/h2,4,6,14H,3,5,7-8H2,1H3
InChIKeyDRVXSYQUWQMZGT-UHFFFAOYSA-N
XLogP2.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-methylthiolan-2-yl)methylsulfamoyl]pyridine-2-carbothioamide
CID 106597633
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-carboxamide
CID 80528718
2-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-3-sulfonamide
CID 115755597
2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid
CID 146372173
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
3-amino-N-[(2-methylthiolan-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993750
N-[(2-methylthiolan-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 80743899
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
2-chloro-N-(2,2,3-trimethylbutyl)pyridine-3-sulfonamide
CID 102609400
2-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-imidazole-5-sulfonamide
CID 80742802
2-methyl-5-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]furan-3-sulfonamide
CID 106073692
2-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 78997965

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide (CID 80527113) is 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide is CC1(CNS(=O)(=O)c2cccnc2Cl)CCCS1.
What is the InChIKey of 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is DRVXSYQUWQMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S2/c1-11(5-3-7-17-11)8-14-18(15,16)9-4-2-6-13-10(9)12/h2,4,6,14H,3,5,7-8H2,1H3.
What are the key properties of 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide?
2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 306.84 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-methylthiolan-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 80527113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).