N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide

C12H11BrN2O2S — CID 2809495

IUPACN-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2S/c1-9-7-11(13)12(14-8-9)15-18(16,17)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyVBRKQISDMGDNLR-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.95
Rot. Bonds3

About N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide

N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 2809495) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID2809495
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C12H11BrN2O2S/c1-9-7-11(13)12(14-8-9)15-18(16,17)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15)
InChIKeyVBRKQISDMGDNLR-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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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide (CID 2809495) is N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is VBRKQISDMGDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-9-7-11(13)12(14-8-9)15-18(16,17)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide?
N-(3-bromo-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 N-(3-bromo-5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 2809495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).