1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide

C15H17ClN2O2S — CID 61105924

IUPAC1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11,17H2,1H3
InChIKeyOEIARCQEPMTYJB-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.88
Rot. Bonds5

About 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide

1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide (PubChem CID 61105924) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
PubChem CID61105924
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide
SMILESCN(Cc1ccccc1Cl)S(=O)(=O)Cc1ccc(N)cc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11,17H2,1H3
InChIKeyOEIARCQEPMTYJB-UHFFFAOYSA-N
XLogP2.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
1-(4-aminophenyl)-N-[(4-fluorophenyl)methyl]-N-methylmethanesulfonamide
CID 43576201
2-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937774
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
2-amino-4-chloro-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105926
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
4-amino-N-[(2-chlorophenyl)methyl]-N-ethylbenzenesulfonamide
CID 61112191
4-(bromomethyl)-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 65482585
N-benzyl-1-(3,4-dichlorophenyl)-N-methylmethanesulfonamide
CID 55531353
N-methyl-1-phenyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]methanesulfonamide
CID 33039061
2-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylbenzenesulfonamide
CID 61106488
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide (CID 61105924) is 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide is CN(Cc1ccccc1Cl)S(=O)(=O)Cc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide?
The InChIKey is OEIARCQEPMTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(10-13-4-2-3-5-15(13)16)21(19,20)11-12-6-8-14(17)9-7-12/h2-9H,10-11,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide?
1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 61105924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).