N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide

C13H12Cl2N2O3S — CID 43603701

IUPACN-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-6-5-8(16)7-11(12)17-21(18,19)13-9(14)3-2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyYXQVSERCPIANQS-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.38
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide

N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 43603701) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID43603701
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC NameN-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H12Cl2N2O3S/c1-20-12-6-5-8(16)7-11(12)17-21(18,19)13-9(14)3-2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyYXQVSERCPIANQS-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

N-(4-amino-2-methoxyphenyl)-2-chlorobenzenesulfonamide
CID 43123342
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
N-(5-amino-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 43603679
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
2-chloro-N-(5-chloro-2-methoxyphenyl)benzenesulfonamide
CID 4816687
2-amino-4,6-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43256321
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
CID 43344398
2-amino-6-chloro-N-(4-chloro-3-methoxyphenyl)benzenesulfonamide
CID 107620731
N-(5-amino-2-chlorophenyl)-3-methoxybenzenesulfonamide
CID 81260297
N-(5-amino-2-methoxyphenyl)-5-ethylthiophene-2-sulfonamide
CID 61454236
N-(5-amino-2-methylphenyl)-2,3-dichlorobenzenesulfonamide
CID 43605236
N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide (CID 43603701) is N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide is COc1ccc(N)cc1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is YXQVSERCPIANQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-20-12-6-5-8(16)7-11(12)17-21(18,19)13-9(14)3-2-4-10(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide?
N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide 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 N-(5-amino-2-methoxyphenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 43603701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).