5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide

C28H34Br3ClN6O8S3 — CID 158233304

IUPAC5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC1CCC1.O=S(=O)(NC1CCC1)c1cc(Br)cnc1Cl.O=c1[nH]cc(Br)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13BrN2O3S.C9H10BrClN2O2S.C9H11BrN2O3S/c1-16-10-9(5-7(11)6-12-10)17(14,15)13-8-3-2-4-8;10-6-4-8(9(11)12-5-6)16(14,15)13-7-2-1-3-7;10-6-4-8(9(13)11-5-6)16(14,15)12-7-2-1-3-7/h5-6,8,13H,2-4H2,1H3;4-5,7,13H,1-3H2;4-5,7,12H,1-3H2,(H,11,13)
InChIKeyGEQLOAOFYKWVRF-UHFFFAOYSA-N
MW953.98 g/mol
LogP4.98
Rot. Bonds10

About 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide

5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide (PubChem CID 158233304) has the molecular formula C28H34Br3ClN6O8S3 and a molecular weight of 953.98 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
PubChem CID158233304
Molecular FormulaC28H34Br3ClN6O8S3
Molecular Weight953.98 g/mol
Exact Mass949.88
IUPAC Name5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide
SMILESCOc1ncc(Br)cc1S(=O)(=O)NC1CCC1.O=S(=O)(NC1CCC1)c1cc(Br)cnc1Cl.O=c1[nH]cc(Br)cc1S(=O)(=O)NC1CCC1
InChIInChI=1S/C10H13BrN2O3S.C9H10BrClN2O2S.C9H11BrN2O3S/c1-16-10-9(5-7(11)6-12-10)17(14,15)13-8-3-2-4-8;10-6-4-8(9(11)12-5-6)16(14,15)13-7-2-1-3-7;10-6-4-8(9(13)11-5-6)16(14,15)12-7-2-1-3-7/h5-6,8,13H,2-4H2,1H3;4-5,7,13H,1-3H2;4-5,7,12H,1-3H2,(H,11,13)
InChIKeyGEQLOAOFYKWVRF-UHFFFAOYSA-N
XLogP4.98
TPSA206.38 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500953.98
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide (CID 158233304) is 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide is COc1ncc(Br)cc1S(=O)(=O)NC1CCC1.O=S(=O)(NC1CCC1)c1cc(Br)cnc1Cl.O=c1[nH]cc(Br)cc1S(=O)(=O)NC1CCC1.
What is the InChIKey of 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is GEQLOAOFYKWVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3S.C9H10BrClN2O2S.C9H11BrN2O3S/c1-16-10-9(5-7(11)6-12-10)17(14,15)13-8-3-2-4-8;10-6-4-8(9(11)12-5-6)16(14,15)13-7-2-1-3-7;10-6-4-8(9(13)11-5-6)16(14,15)12-7-2-1-3-7/h5-6,8,13H,2-4H2,1H3;4-5,7,13H,1-3H2;4-5,7,12H,1-3H2,(H,11,13).
What are the key properties of 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide?
5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 953.98 g/mol, XLogP of 4.98, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-cyclobutylpyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-methoxypyridine-3-sulfonamide;5-bromo-N-cyclobutyl-2-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 158233304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).