5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide

C10H8Cl2N2O2S2 — CID 64606892

IUPAC5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccsc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S2/c11-9-3-8(5-13-10(9)12)18(15,16)14-4-7-1-2-17-6-7/h1-3,5-6,14H,4H2
InChIKeyIPSRIALQDTXJTM-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.93
Rot. Bonds4

About 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide

5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64606892) has the molecular formula C10H8Cl2N2O2S2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID64606892
Molecular FormulaC10H8Cl2N2O2S2
Molecular Weight323.23 g/mol
Exact Mass321.94
IUPAC Name5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccsc1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H8Cl2N2O2S2/c11-9-3-8(5-13-10(9)12)18(15,16)14-4-7-1-2-17-6-7/h1-3,5-6,14H,4H2
InChIKeyIPSRIALQDTXJTM-UHFFFAOYSA-N
XLogP2.93
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
5,6-dichloro-N-(thiophen-2-ylmethyl)pyridine-3-sulfonamide
CID 64622728
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
3-amino-4-fluoro-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 55175261
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114955310
4-chloro-3-fluoro-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 81450686
5,6-dichloro-N-(2,2-dimethylpropyl)pyridine-3-sulfonamide
CID 64606874
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
3-chloro-2-methyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 21110297
6-amino-5-chloro-N-[(3,4-difluorophenyl)methyl]pyridine-3-sulfonamide
CID 64602447

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide (CID 64606892) is 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1ccsc1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is IPSRIALQDTXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S2/c11-9-3-8(5-13-10(9)12)18(15,16)14-4-7-1-2-17-6-7/h1-3,5-6,14H,4H2.
What are the key properties of 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide?
5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 323.23 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(thiophen-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).