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

C12H10BrClN2O2S — CID 102976125

IUPAC3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O2S/c1-8-5-11(12(14)15-7-8)16-19(17,18)10-4-2-3-9(13)6-10/h2-7,16H,1H3
InChIKeyNNUORFQOHCPVOO-UHFFFAOYSA-N
MW361.65 g/mol
LogP3.61
Rot. Bonds3

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

3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 102976125) has the molecular formula C12H10BrClN2O2S and a molecular weight of 361.65 g/mol. Its IUPAC name is 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID102976125
Molecular FormulaC12H10BrClN2O2S
Molecular Weight361.65 g/mol
Exact Mass359.93
IUPAC Name3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cnc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C12H10BrClN2O2S/c1-8-5-11(12(14)15-7-8)16-19(17,18)10-4-2-3-9(13)6-10/h2-7,16H,1H3
InChIKeyNNUORFQOHCPVOO-UHFFFAOYSA-N
XLogP3.61
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.65
LogP ≤ 53.61
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-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 102976117
N-(2-chloro-5-methyl-3-pyridinyl)-4-propan-2-ylbenzenesulfonamide
CID 102976182
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
N-(2-chloro-5-methyl-3-pyridinyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 102976123
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
2-(3-bromophenyl)-N-(2-chloro-5-methyl-3-pyridinyl)acetamide
CID 102979817
3-bromo-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 3833840
3-bromo-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856633
N-(5-amino-2-chlorophenyl)-3-bromobenzenesulfonamide
CID 43550719
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-bromo-N-[2-(dimethylamino)-3-pyridinyl]benzenesulfonamide
CID 61217643
N-(2-chloro-5-methyl-3-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 102976090

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide (CID 102976125) is 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cnc(Cl)c(NS(=O)(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is NNUORFQOHCPVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O2S/c1-8-5-11(12(14)15-7-8)16-19(17,18)10-4-2-3-9(13)6-10/h2-7,16H,1H3.
What are the key properties of 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide?
3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 361.65 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-chloro-5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 102976125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).