N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide

C11H8BBrCl2N2O2S — CID 153351064

IUPACN-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide
SMILESO=S(=O)(NB(Br)c1ccc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C11H8BBrCl2N2O2S/c13-12(9-6-7-10(14)16-11(9)15)17-20(18,19)8-4-2-1-3-5-8/h1-7,17H
InChIKeyFFGCBUVAQSTKJE-UHFFFAOYSA-N
MW393.89 g/mol
LogP2.46
Rot. Bonds4

About N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide

N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide (PubChem CID 153351064) has the molecular formula C11H8BBrCl2N2O2S and a molecular weight of 393.89 g/mol. Its IUPAC name is N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide
PubChem CID153351064
Molecular FormulaC11H8BBrCl2N2O2S
Molecular Weight393.89 g/mol
Exact Mass391.90
IUPAC NameN-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide
SMILESO=S(=O)(NB(Br)c1ccc(Cl)nc1Cl)c1ccccc1
InChIInChI=1S/C11H8BBrCl2N2O2S/c13-12(9-6-7-10(14)16-11(9)15)17-20(18,19)8-4-2-1-3-5-8/h1-7,17H
InChIKeyFFGCBUVAQSTKJE-UHFFFAOYSA-N
XLogP2.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571
N-(6-chloro-2-iodo-3-pyridinyl)benzenesulfonamide
CID 23635587
CID 88793655
CID 88793655
N-(benzenesulfonyl)benzenesulfonamide;silver
CID 175421278
sodium;N-bromobenzenesulfonamide;hydride
CID 139243584
benzene;benzenesulfonyl chloride
CID 87647314
1-(benzenesulfonyl)-2-bromo-6-chloropyrrolo[2,3-b]pyridine
CID 121228695
N-(2,4,5,6-tetrafluoro-3-pyridinyl)benzenesulfonamide
CID 164941165
benzenesulfonyl chloride;iron
CID 174954068
N-[1-(2-chloroquinoline-6-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55731324
1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridine
CID 18176436
benzenesulfonohydrazide;hydrate
CID 21414143

Frequently Asked Questions

What is the IUPAC name of N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide?
The IUPAC name of N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide (CID 153351064) is N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide.
What is the SMILES notation for N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide?
The canonical SMILES for N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide is O=S(=O)(NB(Br)c1ccc(Cl)nc1Cl)c1ccccc1.
What is the InChIKey of N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide?
The InChIKey is FFGCBUVAQSTKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BBrCl2N2O2S/c13-12(9-6-7-10(14)16-11(9)15)17-20(18,19)8-4-2-1-3-5-8/h1-7,17H.
What are the key properties of N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide?
N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide has a molecular weight of 393.89 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bromo-(2,6-dichloro-3-pyridinyl)boranyl]benzenesulfonamide is sourced from PubChem (CID 153351064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).