5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

C12H11Cl2N3O2S — CID 114955310

IUPAC5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-3-15-5-9(8)6-17-20(18,19)10-4-11(13)12(14)16-7-10/h2-5,7,17H,6H2,1H3
InChIKeyIKYRWDPWRCKEPR-UHFFFAOYSA-N
MW332.21 g/mol
LogP2.57
Rot. Bonds4

About 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide

5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (PubChem CID 114955310) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
PubChem CID114955310
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
SMILESCc1ccncc1CNS(=O)(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N3O2S/c1-8-2-3-15-5-9(8)6-17-20(18,19)10-4-11(13)12(14)16-7-10/h2-5,7,17H,6H2,1H3
InChIKeyIKYRWDPWRCKEPR-UHFFFAOYSA-N
XLogP2.57
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 52.57
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

6-(methylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114957445
4-amino-2,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954441
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
5,6-dichloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 64623963
4-amino-2-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954417
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
2-chloro-5-cyano-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114956174
5,6-dichloro-N-(2-methylpropyl)pyridine-3-sulfonamide
CID 64624786
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
5,6-dichloro-N-(1H-imidazol-2-ylmethyl)pyridine-3-sulfonamide
CID 64606709
5,6-dichloro-N-(2-pyridin-3-ylethyl)pyridine-3-sulfonamide
CID 64608921
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide (CID 114955310) is 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is Cc1ccncc1CNS(=O)(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
The InChIKey is IKYRWDPWRCKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-8-2-3-15-5-9(8)6-17-20(18,19)10-4-11(13)12(14)16-7-10/h2-5,7,17H,6H2,1H3.
What are the key properties of 5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide?
5,6-dichloro-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide has a molecular weight of 332.21 g/mol, XLogP of 2.57, 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-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 114955310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).