2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C12H10Br2N2O2S — CID 81495216

IUPAC2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H10Br2N2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3
InChIKeyHOZUIRKIBCNFRV-UHFFFAOYSA-N
MW406.10 g/mol
LogP3.72
Rot. Bonds3

About 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide

2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 81495216) has the molecular formula C12H10Br2N2O2S and a molecular weight of 406.10 g/mol. Its IUPAC name is 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID81495216
Molecular FormulaC12H10Br2N2O2S
Molecular Weight406.10 g/mol
Exact Mass403.88
IUPAC Name2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H10Br2N2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3
InChIKeyHOZUIRKIBCNFRV-UHFFFAOYSA-N
XLogP3.72
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
N-(6-amino-3-pyridinyl)-2,4-dibromobenzenesulfonamide
CID 60824053
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,4-dibromo-N-(4-bromo-3-methoxyphenyl)benzenesulfonamide
CID 82861269
2,4-dibromo-N-pyridin-4-ylbenzenesulfonamide
CID 60823437
2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
N-(6-amino-3-pyridinyl)-5-bromo-2-methylbenzenesulfonamide
CID 60792229
3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073213
2,4-dibromo-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 63903663
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106997067

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 81495216) is 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is HOZUIRKIBCNFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O2S/c1-8-2-4-10(7-15-8)16-19(17,18)12-5-3-9(13)6-11(12)14/h2-7,16H,1H3.
What are the key properties of 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 406.10 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 81495216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).