6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide

C10H13ClN2O2S2 — CID 107295654

IUPAC6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O2S2/c11-10-2-1-9(6-12-10)17(14,15)13-5-8-3-4-16-7-8/h1-2,6,8,13H,3-5,7H2
InChIKeyRUURLSHSQONLNI-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.77
Rot. Bonds4

About 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide

6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 107295654) has the molecular formula C10H13ClN2O2S2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID107295654
Molecular FormulaC10H13ClN2O2S2
Molecular Weight292.81 g/mol
Exact Mass292.01
IUPAC Name6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCC1CCSC1)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O2S2/c11-10-2-1-9(6-12-10)17(14,15)13-5-8-3-4-16-7-8/h1-2,6,8,13H,3-5,7H2
InChIKeyRUURLSHSQONLNI-UHFFFAOYSA-N
XLogP1.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(thiolan-3-ylmethyl)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

6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835870
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
4-(2-aminoethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297050
6-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 61215514
6-chloro-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-sulfonamide
CID 7124105
N-ethyl-4-(thiolan-3-ylmethylamino)benzenesulfonamide
CID 107131760
2-amino-N-(thiolan-3-ylmethyl)quinoline-6-sulfonamide
CID 107298100
2-chloro-N-(cyclopropylmethyl)pyrimidine-5-sulfonamide
CID 43456299
N-(thiolan-3-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 107297786
4-ethyl-3-(methylaminomethyl)-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 106089113
4-hydroxy-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297324
4-amino-3-nitro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107297052

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide (CID 107295654) is 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCC1CCSC1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is RUURLSHSQONLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S2/c11-10-2-1-9(6-12-10)17(14,15)13-5-8-3-4-16-7-8/h1-2,6,8,13H,3-5,7H2.
What are the key properties of 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide?
6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 292.81 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 107295654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).