5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide

C10H5BrClN3O2S2 — CID 61299290

IUPAC5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H5BrClN3O2S2/c11-7-3-8(9(12)14-5-7)19(16,17)15-10-6(4-13)1-2-18-10/h1-3,5,15H
InChIKeyFYROMINGMVIPNI-UHFFFAOYSA-N
MW378.66 g/mol
LogP3.23
Rot. Bonds3

About 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide (PubChem CID 61299290) has the molecular formula C10H5BrClN3O2S2 and a molecular weight of 378.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
PubChem CID61299290
Molecular FormulaC10H5BrClN3O2S2
Molecular Weight378.66 g/mol
Exact Mass376.87
IUPAC Name5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
SMILESN#Cc1ccsc1NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H5BrClN3O2S2/c11-7-3-8(9(12)14-5-7)19(16,17)15-10-6(4-13)1-2-18-10/h1-3,5,15H
InChIKeyFYROMINGMVIPNI-UHFFFAOYSA-N
XLogP3.23
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide (CID 61299290) is 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide is N#Cc1ccsc1NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
The InChIKey is FYROMINGMVIPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClN3O2S2/c11-7-3-8(9(12)14-5-7)19(16,17)15-10-6(4-13)1-2-18-10/h1-3,5,15H.
What are the key properties of 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide has a molecular weight of 378.66 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 61299290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).