N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide

C11H7BrCl2N2O2S — CID 103816094

IUPACN-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7BrCl2N2O2S/c12-11-8(4-2-6-15-11)16-19(17,18)9-5-1-3-7(13)10(9)14/h1-6,16H
InChIKeySDPMBGXVWKTUPV-UHFFFAOYSA-N
MW382.07 g/mol
LogP3.95
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide

N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide (PubChem CID 103816094) has the molecular formula C11H7BrCl2N2O2S and a molecular weight of 382.07 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
PubChem CID103816094
Molecular FormulaC11H7BrCl2N2O2S
Molecular Weight382.07 g/mol
Exact Mass379.88
IUPAC NameN-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H7BrCl2N2O2S/c12-11-8(4-2-6-15-11)16-19(17,18)9-5-1-3-7(13)10(9)14/h1-6,16H
InChIKeySDPMBGXVWKTUPV-UHFFFAOYSA-N
XLogP3.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
CID 113267836
N-(2-bromo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 103816000
N-(2-bromo-3-pyridinyl)pyridine-3-sulfonamide
CID 103816034
5-bromo-N-(2-bromo-3-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 103816032
N-(2-bromo-3-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 103816111
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
N-(2-bromo-3-pyridinyl)-4-fluoro-2-methylbenzenesulfonamide
CID 103816057
N-(2-bromo-3-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113267846
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide (CID 103816094) is N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide is O=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is SDPMBGXVWKTUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O2S/c12-11-8(4-2-6-15-11)16-19(17,18)9-5-1-3-7(13)10(9)14/h1-6,16H.
What are the key properties of N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 382.07 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 103816094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).