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

C13H12Cl2N2O3S — CID 43256321

IUPAC2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,16H2,1H3
InChIKeyUZYIMSMFLMPERW-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.38
Rot. Bonds4

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

2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 43256321) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID43256321
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,16H2,1H3
InChIKeyUZYIMSMFLMPERW-UHFFFAOYSA-N
XLogP3.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.38
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

2-amino-4,6-dichloro-N-(2-iodophenyl)benzenesulfonamide
CID 43256705
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
2-amino-4,6-dichloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 43256363
2-amino-4,6-dichloro-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 43256501
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
2-amino-N-(5-bromo-2-fluorophenyl)-4,6-dichlorobenzenesulfonamide
CID 43555514
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
CID 43603701
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
5-amino-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide (CID 43256321) is 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is UZYIMSMFLMPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-5-3-2-4-11(12)17-21(18,19)13-9(15)6-8(14)7-10(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 347.22 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 43256321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).