4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C12H11BrN2O2S — CID 669661

IUPAC4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C12H11BrN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15)
InChIKeyGLGNCWRNFKYAJB-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.95
Rot. Bonds3

About 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide

4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 669661) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID669661
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC Name4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1
InChIInChI=1S/C12H11BrN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15)
InChIKeyGLGNCWRNFKYAJB-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
4-(chloromethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 114279681
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
6-hydrazinyl-N-(5-methyl-2-pyridinyl)pyridine-3-sulfonamide
CID 29054363
4-bromo-N-[5-(propylamino)-2-pyridinyl]benzenesulfonamide
CID 113023499
2-(methylamino)-N-(5-methyl-2-pyridinyl)pyrimidine-5-sulfonamide
CID 62150825
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
sodium N-(5-methyl-2-pyridinyl)sulfamate
CID 102006544

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 669661) is 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1.
What is the InChIKey of 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is GLGNCWRNFKYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-9-2-7-12(14-8-9)15-18(16,17)11-5-3-10(13)4-6-11/h2-8H,1H3,(H,14,15).
What are the key properties of 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 327.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).