N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide

C11H8BrClN2O2S — CID 113267836

IUPACN-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1
InChIInChI=1S/C11H8BrClN2O2S/c12-11-10(5-2-6-14-11)15-18(16,17)9-4-1-3-8(13)7-9/h1-7,15H
InChIKeyCTRVNECBXJVCCP-UHFFFAOYSA-N
MW347.62 g/mol
LogP3.30
Rot. Bonds3

About N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide

N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide (PubChem CID 113267836) has the molecular formula C11H8BrClN2O2S and a molecular weight of 347.62 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
PubChem CID113267836
Molecular FormulaC11H8BrClN2O2S
Molecular Weight347.62 g/mol
Exact Mass345.92
IUPAC NameN-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide
SMILESO=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1
InChIInChI=1S/C11H8BrClN2O2S/c12-11-10(5-2-6-14-11)15-18(16,17)9-4-1-3-8(13)7-9/h1-7,15H
InChIKeyCTRVNECBXJVCCP-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 53.30
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)pyridine-3-sulfonamide
CID 103816034
N-(2-bromo-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
CID 114051884
N-(2-bromo-3-pyridinyl)-2,3-dichlorobenzenesulfonamide
CID 103816094
N-(5-bromo-2-iodophenyl)-3-chlorobenzenesulfonamide
CID 114259576
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
3-chloro-N-[3-methyl-2-(pyrimidin-2-ylamino)phenyl]benzenesulfonamide
CID 177453725
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(5-bromo-2-hydroxyphenyl)-3-chlorobenzenesulfonamide
CID 79822200
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559
N-[2-(aminomethyl)phenyl]-3-chlorobenzenesulfonamide
CID 64897005
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide (CID 113267836) is N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide is O=S(=O)(Nc1cccnc1Br)c1cccc(Cl)c1.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide?
The InChIKey is CTRVNECBXJVCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O2S/c12-11-10(5-2-6-14-11)15-18(16,17)9-4-1-3-8(13)7-9/h1-7,15H.
What are the key properties of N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide?
N-(2-bromo-3-pyridinyl)-3-chlorobenzenesulfonamide has a molecular weight of 347.62 g/mol, XLogP of 3.30, 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)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 113267836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).