1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide

C13H12Cl2N2O2S — CID 43256586

IUPAC1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c14-11-5-2-6-12(13(11)15)17-20(18,19)8-9-3-1-4-10(16)7-9/h1-7,17H,8,16H2
InChIKeyYWLJAWUHMIXMAY-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.52
Rot. Bonds4

About 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide

1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide (PubChem CID 43256586) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
PubChem CID43256586
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
SMILESNc1cccc(CS(=O)(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H12Cl2N2O2S/c14-11-5-2-6-12(13(11)15)17-20(18,19)8-9-3-1-4-10(16)7-9/h1-7,17H,8,16H2
InChIKeyYWLJAWUHMIXMAY-UHFFFAOYSA-N
XLogP3.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.52
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

1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960
1-(2-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide
CID 62021843
1-(3-aminophenyl)-N-(2,3,4-trifluorophenyl)methanesulfonamide
CID 43256402
2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-chloro-N-(2,3-dichlorophenyl)ethanesulfonamide
CID 103609336
1-(3-aminophenyl)-N-(3-fluoro-4-pyridinyl)methanesulfonamide
CID 107594674
1-(3-aminophenyl)-N-prop-2-ynylmethanesulfonamide
CID 61111385
1-(3-aminophenyl)-N-pyridin-2-ylmethanesulfonamide
CID 43255711
3-(3-aminophenyl)-N-(2,3-dichlorophenyl)propanamide
CID 28713636
1-(3-aminophenyl)-N-(5-cyano-2-methylphenyl)methanesulfonamide
CID 62104261
1-(3-aminophenyl)-N-thiophen-3-ylmethanesulfonamide
CID 66351875

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide (CID 43256586) is 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide is Nc1cccc(CS(=O)(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide?
The InChIKey is YWLJAWUHMIXMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c14-11-5-2-6-12(13(11)15)17-20(18,19)8-9-3-1-4-10(16)7-9/h1-7,17H,8,16H2.
What are the key properties of 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2,3-dichlorophenyl)methanesulfonamide is sourced from PubChem (CID 43256586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).