4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide

C12H9Cl3N2O2S — CID 65470012

IUPAC4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)11-5-4-7(16)6-10(11)15/h1-6,17H,16H2
InChIKeyHHQSSWPCRMONCK-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.03
Rot. Bonds3

About 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide

4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide (PubChem CID 65470012) has the molecular formula C12H9Cl3N2O2S and a molecular weight of 351.64 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
PubChem CID65470012
Molecular FormulaC12H9Cl3N2O2S
Molecular Weight351.64 g/mol
Exact Mass349.95
IUPAC Name4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)11-5-4-7(16)6-10(11)15/h1-6,17H,16H2
InChIKeyHHQSSWPCRMONCK-UHFFFAOYSA-N
XLogP4.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.03
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-chloro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 28973552
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107608927
4-amino-2-chloro-N',N'-dimethylbenzenesulfonohydrazide
CID 83012665
4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584428
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757
N-(3-aminophenyl)-2-chlorobenzenesulfonamide
CID 39382570
4-amino-N-(2,6-dichloro-3-methylphenyl)-2-methylbenzenesulfonamide
CID 43258171
4-amino-2-chloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61393032
1,3-dichloro-2-(sulfamoylamino)benzene
CID 16648290
1-(4-amino-2-chlorophenyl)sulfonyl-3-methylurea
CID 116646022
5-amino-N-(2,6-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 65468674
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 43256354

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide (CID 65470012) is 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide?
The InChIKey is HHQSSWPCRMONCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O2S/c13-8-2-1-3-9(14)12(8)17-20(18,19)11-5-4-7(16)6-10(11)15/h1-6,17H,16H2.
What are the key properties of 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide?
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide has a molecular weight of 351.64 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide is sourced from PubChem (CID 65470012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).