5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide

C9H12BrClN2O4S2 — CID 61301034

IUPAC5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H12BrClN2O4S2/c1-18(14,15)4-2-3-13-19(16,17)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3
InChIKeyQDJYFJMUMIWVNY-UHFFFAOYSA-N
MW391.70 g/mol
LogP1.21
Rot. Bonds6

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

5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (PubChem CID 61301034) has the molecular formula C9H12BrClN2O4S2 and a molecular weight of 391.70 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
PubChem CID61301034
Molecular FormulaC9H12BrClN2O4S2
Molecular Weight391.70 g/mol
Exact Mass389.91
IUPAC Name5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C9H12BrClN2O4S2/c1-18(14,15)4-2-3-13-19(16,17)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3
InChIKeyQDJYFJMUMIWVNY-UHFFFAOYSA-N
XLogP1.21
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.70
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-(3-ethenoxypropyl)pyridine-3-sulfonamide
CID 61072193
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
5-bromo-2-chloro-N-(2,3,3-trimethylbutyl)pyridine-3-sulfonamide
CID 78966663
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 61060719
2-amino-5-bromo-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158912
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]acetate
CID 61060282

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide (CID 61301034) is 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide is CS(=O)(=O)CCCNS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
The InChIKey is QDJYFJMUMIWVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN2O4S2/c1-18(14,15)4-2-3-13-19(16,17)8-5-7(10)6-12-9(8)11/h5-6,13H,2-4H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide has a molecular weight of 391.70 g/mol, XLogP of 1.21, 6 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-methylsulfonylpropyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61301034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).