4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C12H11Cl2N3O2S — CID 79234681

IUPAC4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)ccn1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-4-9(2-3-16-7)17-20(18,19)12-10(13)5-8(15)6-11(12)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZCJNLVUTHPJVPW-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.08
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 79234681) has the molecular formula C12H11Cl2N3O2S and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID79234681
Molecular FormulaC12H11Cl2N3O2S
Molecular Weight332.21 g/mol
Exact Mass330.99
IUPAC Name4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)ccn1
InChIInChI=1S/C12H11Cl2N3O2S/c1-7-4-9(2-3-16-7)17-20(18,19)12-10(13)5-8(15)6-11(12)14/h2-6H,15H2,1H3,(H,16,17)
InChIKeyZCJNLVUTHPJVPW-UHFFFAOYSA-N
XLogP3.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.08
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

4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
CID 43257455
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
5-chloro-6-hydrazinyl-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240791
4-amino-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393048
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
2-chloro-4-methoxy-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758843
2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 79234681) is 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)ccn1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is ZCJNLVUTHPJVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O2S/c1-7-4-9(2-3-16-7)17-20(18,19)12-10(13)5-8(15)6-11(12)14/h2-6H,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 332.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79234681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).