3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

C12H11BrClN3O2S — CID 106934484

IUPAC3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H11BrClN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(14)6-10(15)12(11)13/h2-7H,15H2,1H3
InChIKeyOYXUFTNIEFFEGY-UHFFFAOYSA-N
MW376.66 g/mol
LogP2.90
Rot. Bonds3

About 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide

3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106934484) has the molecular formula C12H11BrClN3O2S and a molecular weight of 376.66 g/mol. Its IUPAC name is 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106934484
Molecular FormulaC12H11BrClN3O2S
Molecular Weight376.66 g/mol
Exact Mass374.94
IUPAC Name3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1Br
InChIInChI=1S/C12H11BrClN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(14)6-10(15)12(11)13/h2-7H,15H2,1H3
InChIKeyOYXUFTNIEFFEGY-UHFFFAOYSA-N
XLogP2.90
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-chloro-2-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934412
3-amino-2-bromo-5-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 55152525
3-amino-2-bromo-5-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012272
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-amino-2-bromo-5-chloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 62957413
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106936845
3-amino-4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934493
2-[(3-amino-2-bromo-5-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 62955656
3-amino-5-chloro-2-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733389
3-amino-2-bromo-5-chloro-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954404
3-amino-2-bromo-5-chloro-N-(2-cyanoethyl)-N-methylbenzenesulfonamide
CID 62957583
3-amino-2-bromo-5-chloro-N-(cyclopentylmethyl)-N-methylbenzenesulfonamide
CID 63633294

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide (CID 106934484) is 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is CN(c1ccncc1)S(=O)(=O)c1cc(Cl)cc(N)c1Br.
What is the InChIKey of 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is OYXUFTNIEFFEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O2S/c1-17(9-2-4-16-5-3-9)20(18,19)11-7-8(14)6-10(15)12(11)13/h2-7H,15H2,1H3.
What are the key properties of 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide?
3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-5-chloro-N-methyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106934484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).