3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide

C10H14BrClN2O2S — CID 167809520

IUPAC3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(Cl)cncc1Br
InChIInChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)10-8(11)6-13-7-9(10)12/h6-7H,3-5H2,1-2H3
InChIKeySTPQLGYYLKOMSH-UHFFFAOYSA-N
MW341.66 g/mol
LogP2.92
Rot. Bonds5

About 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide

3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide (PubChem CID 167809520) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide
PubChem CID167809520
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1c(Cl)cncc1Br
InChIInChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)10-8(11)6-13-7-9(10)12/h6-7H,3-5H2,1-2H3
InChIKeySTPQLGYYLKOMSH-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

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Related Compounds

N-butyl-5,6-dichloro-N-methylpyridine-3-sulfonamide
CID 64625358
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
N-butyl-N,2,3,4,5,6-hexamethylbenzenesulfonamide
CID 3332180
5-amino-N-butyl-N-methylpyridine-3-sulfonamide
CID 82222996
4-amino-2,6-difluoro-N-methyl-N-pentylbenzenesulfonamide
CID 54888877
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
CID 43845506
3-bromo-N-butyl-5-(chloromethyl)-N,2-dimethylbenzenesulfonamide
CID 81488575
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-4-chloro-2-fluoro-N-methylbenzenesulfonamide
CID 78786983
5-amino-N-butyl-2-chloro-N-methylbenzenesulfonamide
CID 29290326
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
4-bromo-2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700364

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide?
The IUPAC name of 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide (CID 167809520) is 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide.
What is the SMILES notation for 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide?
The canonical SMILES for 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide is CCCCN(C)S(=O)(=O)c1c(Cl)cncc1Br.
What is the InChIKey of 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide?
The InChIKey is STPQLGYYLKOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-3-4-5-14(2)17(15,16)10-8(11)6-13-7-9(10)12/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide?
3-bromo-N-butyl-5-chloro-N-methylpyridine-4-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 3-bromo-N-butyl-5-chloro-N-methylpyridine-4-sulfonamide is sourced from PubChem (CID 167809520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).