4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide

C13H12Cl2N2O2S — CID 9150223

IUPAC4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c14-10-2-1-9(13(15)7-10)8-17-20(18,19)12-5-3-11(16)4-6-12/h1-7,17H,8,16H2
InChIKeyDQODEDMSRZKGKX-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.05
Rot. Bonds4

About 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide

4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide (PubChem CID 9150223) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
PubChem CID9150223
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC Name4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H12Cl2N2O2S/c14-10-2-1-9(13(15)7-10)8-17-20(18,19)12-5-3-11(16)4-6-12/h1-7,17H,8,16H2
InChIKeyDQODEDMSRZKGKX-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
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

N-[(2,4-dichlorophenyl)methyl]-4-nitrobenzenesulfonamide
CID 1260783
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 19680727
4-[(tert-butylamino)methyl]-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide
CID 59768464
N-[(4-amino-2-chlorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 75458445
ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
CID 4665186
N-[(2,4-dichlorophenyl)methyl]-3-methylbenzenesulfonamide
CID 3369728
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3338012
3-amino-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 29269508
N-[(2-chloro-4-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 3835603
4-amino-N-(2,5-dichlorophenyl)benzenesulfonamide
CID 28590083
N-[(4-aminophenyl)methyl]-2,5-dichlorobenzenesulfonamide
CID 43604538

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide (CID 9150223) is 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide?
The InChIKey is DQODEDMSRZKGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c14-10-2-1-9(13(15)7-10)8-17-20(18,19)12-5-3-11(16)4-6-12/h1-7,17H,8,16H2.
What are the key properties of 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide?
4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide has a molecular weight of 331.22 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,4-dichlorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 9150223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).