5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide

C10H14BrClN2O2S — CID 61060720

IUPAC5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)9-6-8(11)7-13-10(9)12/h6-7H,3-5H2,1-2H3
InChIKeyNMWZHWNSYMPVNR-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide

5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 61060720) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
PubChem CID61060720
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)9-6-8(11)7-13-10(9)12/h6-7H,3-5H2,1-2H3
InChIKeyNMWZHWNSYMPVNR-UHFFFAOYSA-N
XLogP2.92
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 52.92
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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Related Compounds

5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
CID 61060925
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
5-bromo-2-chloro-N-hexyl-N-(2-hydroxyethyl)pyridine-3-sulfonamide
CID 61299294
N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
5-bromo-2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 54978681
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
2-[(5-bromo-2-chloro-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61061158
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
4-bromo-2-ethyl-N-methyl-N-pentylbenzenesulfonamide
CID 3592900
5-bromo-2-chloro-N-(4-hydroxyphenyl)-N-methylpyridine-3-sulfonamide
CID 107856647

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide (CID 61060720) is 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide is CCCCN(C)S(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is NMWZHWNSYMPVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)9-6-8(11)7-13-10(9)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide?
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 341.66 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 61060720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).