5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

C10H14BrClN2O2S2 — CID 115899532

IUPAC5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S2/c1-3-8(6-17-2)14-18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8,14H,3,6H2,1-2H3
InChIKeyWNWJTSBICXJZIP-UHFFFAOYSA-N
MW373.73 g/mol
LogP2.92
Rot. Bonds6

About 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide

5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115899532) has the molecular formula C10H14BrClN2O2S2 and a molecular weight of 373.73 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID115899532
Molecular FormulaC10H14BrClN2O2S2
Molecular Weight373.73 g/mol
Exact Mass371.94
IUPAC Name5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide
SMILESCCC(CSC)NS(=O)(=O)c1cc(Br)cnc1Cl
InChIInChI=1S/C10H14BrClN2O2S2/c1-3-8(6-17-2)14-18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8,14H,3,6H2,1-2H3
InChIKeyWNWJTSBICXJZIP-UHFFFAOYSA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(1-hydroxypentan-3-yl)pyridine-3-sulfonamide
CID 115755260
5-bromo-2-chloro-N-pent-1-yn-3-ylpyridine-3-sulfonamide
CID 106898775
5-bromo-2-chloro-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 62693299
5-bromo-2-chloro-N-(4-hydroxypentan-2-yl)pyridine-3-sulfonamide
CID 113376188
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
ethyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61498779
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
5-bromo-2-chloro-N-(1-methoxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 65049278
5-bromo-2-chloro-N-(3-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 115604204
5-bromo-2-chloro-N-(2-ethylsulfanylphenyl)pyridine-3-sulfonamide
CID 61298508
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
5-bromo-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 102904953

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide (CID 115899532) is 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is CCC(CSC)NS(=O)(=O)c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is WNWJTSBICXJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S2/c1-3-8(6-17-2)14-18(15,16)9-4-7(11)5-13-10(9)12/h4-5,8,14H,3,6H2,1-2H3.
What are the key properties of 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide?
5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 373.73 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1-methylsulfanylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115899532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).