N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide

C12H11BrN2O2S — CID 673877

IUPACN-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyUMFVGVQNRKEYEY-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.95
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide

N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 673877) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID673877
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C12H11BrN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-8H,1H3,(H,14,15)
InChIKeyUMFVGVQNRKEYEY-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

4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
4-bromo-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 3811085
4-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)benzenesulfonamide
CID 43114385
N-(5-bromopyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 11001969
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-[5-(hydroxymethyl)-2-pyridinyl]-4-methylbenzenesulfonamide
CID 82343399
N-(5-acetyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 100923791
N-(5-methyl-2-pyridinyl)-4-pyridin-4-ylbenzenesulfonamide
CID 110454365
4-(bromomethyl)-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 65481784
N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 790872
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 61293532

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide (CID 673877) is N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is UMFVGVQNRKEYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2-8H,1H3,(H,14,15).
What are the key properties of N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide?
N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide 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 N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 673877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).