N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide

C9H5BrCl2N2O2S2 — CID 104826704

IUPACN-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C9H5BrCl2N2O2S2/c10-6-3-5(4-13-9(6)12)14-18(15,16)8-2-1-7(11)17-8/h1-4,14H
InChIKeyWJIZOIQMMWPEHO-UHFFFAOYSA-N
MW388.10 g/mol
LogP4.01
Rot. Bonds3

About N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide

N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide (PubChem CID 104826704) has the molecular formula C9H5BrCl2N2O2S2 and a molecular weight of 388.10 g/mol. Its IUPAC name is N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
PubChem CID104826704
Molecular FormulaC9H5BrCl2N2O2S2
Molecular Weight388.10 g/mol
Exact Mass385.84
IUPAC NameN-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Cl)s1
InChIInChI=1S/C9H5BrCl2N2O2S2/c10-6-3-5(4-13-9(6)12)14-18(15,16)8-2-1-7(11)17-8/h1-4,14H
InChIKeyWJIZOIQMMWPEHO-UHFFFAOYSA-N
XLogP4.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.10
LogP ≤ 54.01
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

N-(6-amino-3-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 55025745
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
N-(4-bromo-3-iodophenyl)-5-chlorothiophene-2-sulfonamide
CID 114259633
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-(5-bromo-6-chloro-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 104826712
N-(5-bromo-6-chloro-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104826706
N-(5-bromo-6-chloro-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 104826709
N-(5-bromo-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 6466988
5-chloro-N-[6-(trifluoromethyl)-3-pyridinyl]thiophene-2-sulfonamide
CID 166188989
4-bromo-N-(5-bromo-6-chloro-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 105055682
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679
5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 5263595

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The IUPAC name of N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide (CID 104826704) is N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The canonical SMILES for N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide is O=S(=O)(Nc1cnc(Cl)c(Br)c1)c1ccc(Cl)s1.
What is the InChIKey of N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide?
The InChIKey is WJIZOIQMMWPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O2S2/c10-6-3-5(4-13-9(6)12)14-18(15,16)8-2-1-7(11)17-8/h1-4,14H.
What are the key properties of N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide?
N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide has a molecular weight of 388.10 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-chloro-3-pyridinyl)-5-chlorothiophene-2-sulfonamide is sourced from PubChem (CID 104826704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).