2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide

C13H11Cl3N2O2S — CID 43256501

IUPAC2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-3-8(14)6-12(7)18-21(19,20)13-10(16)4-9(15)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeyXQFSKFWCVONXNC-UHFFFAOYSA-N
MW365.67 g/mol
LogP4.34
Rot. Bonds3

About 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide

2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 43256501) has the molecular formula C13H11Cl3N2O2S and a molecular weight of 365.67 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID43256501
Molecular FormulaC13H11Cl3N2O2S
Molecular Weight365.67 g/mol
Exact Mass363.96
IUPAC Name2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H11Cl3N2O2S/c1-7-2-3-8(14)6-12(7)18-21(19,20)13-10(16)4-9(15)5-11(13)17/h2-6,18H,17H2,1H3
InChIKeyXQFSKFWCVONXNC-UHFFFAOYSA-N
XLogP4.34
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.67
LogP ≤ 54.34
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

2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43255926
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
CID 43555514
2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
5-amino-N-(5-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 28537891
6-amino-N-(5-chloro-2-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43438179
2-amino-N-(2,5-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452435
2-amino-N-(2,4-dichlorophenyl)-6-methylbenzenesulfonamide
CID 43452452
3-amino-4-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 115328687

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide (CID 43256501) is 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide is Cc1ccc(Cl)cc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is XQFSKFWCVONXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O2S/c1-7-2-3-8(14)6-12(7)18-21(19,20)13-10(16)4-9(15)5-11(13)17/h2-6,18H,17H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide has a molecular weight of 365.67 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43256501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).