2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

C14H14Cl2N2O2S — CID 61105926

IUPAC2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-4-2-3-5-12(10)16)21(19,20)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyJHPJHNGTWYSBBH-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.40
Rot. Bonds4

About 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide

2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 61105926) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID61105926
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C14H14Cl2N2O2S/c1-18(9-10-4-2-3-5-12(10)16)21(19,20)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3
InChIKeyJHPJHNGTWYSBBH-UHFFFAOYSA-N
XLogP3.40
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61106855
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
2-amino-4-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 61115034
N-[(2-aminophenyl)methyl]-2,5-difluoro-N-methylbenzenesulfonamide
CID 43458468
2-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61139388
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
CID 61105924
N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 86794996

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide (CID 61105926) is 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is JHPJHNGTWYSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-18(9-10-4-2-3-5-12(10)16)21(19,20)14-7-6-11(15)8-13(14)17/h2-8H,9,17H2,1H3.
What are the key properties of 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide?
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 345.25 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 61105926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).