4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide

C13H12Cl2N2O2S — CID 43257455

IUPAC4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)13-11(14)6-9(16)7-12(13)15/h2-7,17H,16H2,1H3
InChIKeyKJMTWDBJPOPTLO-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.68
Rot. Bonds3

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

4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 43257455) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
PubChem CID43257455
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)13-11(14)6-9(16)7-12(13)15/h2-7,17H,16H2,1H3
InChIKeyKJMTWDBJPOPTLO-UHFFFAOYSA-N
XLogP3.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79234681
4-amino-N-(3-bromophenyl)-2,6-dichlorobenzenesulfonamide
CID 43257573
N-(4-amino-2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 100828237
4-amino-2,6-dichloro-N-(1-methylpyrazol-4-yl)benzenesulfonamide
CID 43534674
4-amino-N-(3-chloro-4-methylphenyl)-2,6-difluorobenzenesulfonamide
CID 60985629
4-amino-2,6-dichloro-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 107624642
3-amino-N-(4-methylphenyl)benzenesulfonamide;hydrochloride
CID 134103318
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-amino-N-(3,4-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 79557755
4-amino-2,6-dibromo-N-(2-chloro-5-methylphenyl)benzenesulfonamide
CID 107624523
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
4-amino-2,6-dichloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 65488136

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide (CID 43257455) is 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)cc1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is KJMTWDBJPOPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-8-2-4-10(5-3-8)17-20(18,19)13-11(14)6-9(16)7-12(13)15/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43257455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).