5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide

C12H14Cl2N2O2S — CID 64606326

IUPAC5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C12H14Cl2N2O2S/c13-11-5-10(6-15-12(11)14)19(17,18)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2
InChIKeyTVWQJIFFEKCGJV-UHFFFAOYSA-N
MW321.23 g/mol
LogP2.95
Rot. Bonds5

About 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide

5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide (PubChem CID 64606326) has the molecular formula C12H14Cl2N2O2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
PubChem CID64606326
Molecular FormulaC12H14Cl2N2O2S
Molecular Weight321.23 g/mol
Exact Mass320.02
IUPAC Name5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(c1cnc(Cl)c(Cl)c1)N(CC1CC1)C1CC1
InChIInChI=1S/C12H14Cl2N2O2S/c13-11-5-10(6-15-12(11)14)19(17,18)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2
InChIKeyTVWQJIFFEKCGJV-UHFFFAOYSA-N
XLogP2.95
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide (CID 64606326) is 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide is O=S(=O)(c1cnc(Cl)c(Cl)c1)N(CC1CC1)C1CC1.
What is the InChIKey of 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
The InChIKey is TVWQJIFFEKCGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2S/c13-11-5-10(6-15-12(11)14)19(17,18)16(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2.
What are the key properties of 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide?
5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide has a molecular weight of 321.23 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64606326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).