4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide

C11H9BrClN3O2S — CID 83165562

IUPAC4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnccc2Cl)c(Br)c1
InChIInChI=1S/C11H9BrClN3O2S/c12-8-5-7(14)1-2-11(8)19(17,18)16-10-6-15-4-3-9(10)13/h1-6,16H,14H2
InChIKeyVQWSMNMCWMPTIP-UHFFFAOYSA-N
MW362.64 g/mol
LogP2.88
Rot. Bonds3

About 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide

4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide (PubChem CID 83165562) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
PubChem CID83165562
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cnccc2Cl)c(Br)c1
InChIInChI=1S/C11H9BrClN3O2S/c12-8-5-7(14)1-2-11(8)19(17,18)16-10-6-15-4-3-9(10)13/h1-6,16H,14H2
InChIKeyVQWSMNMCWMPTIP-UHFFFAOYSA-N
XLogP2.88
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83165731
3-amino-2-bromo-5-chloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83166228
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
5-amino-2-chloro-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83166065
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
2-amino-N-(4-chloro-3-pyridinyl)pyridine-3-sulfonamide
CID 83164863
5-amino-2-bromo-N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 65206792
5-amino-2-bromo-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 65202232
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881
5-bromo-N-(4-chloro-3-pyridinyl)thiophene-2-sulfonamide
CID 83167503

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide (CID 83165562) is 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cnccc2Cl)c(Br)c1.
What is the InChIKey of 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
The InChIKey is VQWSMNMCWMPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c12-8-5-7(14)1-2-11(8)19(17,18)16-10-6-15-4-3-9(10)13/h1-6,16H,14H2.
What are the key properties of 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide?
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 83165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).