N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide

C13H8BrClN2O2S2 — CID 61300838

IUPACN-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2sccc2c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H8BrClN2O2S2/c14-9-6-12(13(15)16-7-9)21(18,19)17-10-1-2-11-8(5-10)3-4-20-11/h1-7,17H
InChIKeyMYKXTXOTWQGAKK-UHFFFAOYSA-N
MW403.71 g/mol
LogP4.51
Rot. Bonds3

About N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide

N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide (PubChem CID 61300838) has the molecular formula C13H8BrClN2O2S2 and a molecular weight of 403.71 g/mol. Its IUPAC name is N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
PubChem CID61300838
Molecular FormulaC13H8BrClN2O2S2
Molecular Weight403.71 g/mol
Exact Mass401.89
IUPAC NameN-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc2sccc2c1)c1cc(Br)cnc1Cl
InChIInChI=1S/C13H8BrClN2O2S2/c14-9-6-12(13(15)16-7-9)21(18,19)17-10-1-2-11-8(5-10)3-4-20-11/h1-7,17H
InChIKeyMYKXTXOTWQGAKK-UHFFFAOYSA-N
XLogP4.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.71
LogP ≤ 54.51
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-N-(3-bromo-4-fluorophenyl)-2-chloropyridine-3-sulfonamide
CID 104777158
N-(1-benzothiophen-5-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528371
4-amino-N-(1-benzothiophen-5-yl)-2-bromobenzenesulfonamide
CID 65475216
5-bromo-2-chloro-N-(3-cyanothiophen-2-yl)pyridine-3-sulfonamide
CID 61299290
5-bromo-2-chloro-N-[6-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61300839
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
5-bromo-N-(4-bromo-3,5-dimethylphenyl)-2-chloropyridine-3-sulfonamide
CID 107573390
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
methyl 3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]thiophene-2-carboxylate
CID 60779698
5-bromo-2-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107625055
5-bromo-2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 60779710
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The IUPAC name of N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide (CID 61300838) is N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide is O=S(=O)(Nc1ccc2sccc2c1)c1cc(Br)cnc1Cl.
What is the InChIKey of N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
The InChIKey is MYKXTXOTWQGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O2S2/c14-9-6-12(13(15)16-7-9)21(18,19)17-10-1-2-11-8(5-10)3-4-20-11/h1-7,17H.
What are the key properties of N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide?
N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide has a molecular weight of 403.71 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-yl)-5-bromo-2-chloropyridine-3-sulfonamide is sourced from PubChem (CID 61300838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).