N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide

C15H17ClN2O2S — CID 107465899

IUPACN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(15-11-13(16)7-8-14(15)17)21(19,20)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10,17H2,1H3
InChIKeyXPDCRTNRIMXXAC-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.93
Rot. Bonds5

About N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide

N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide (PubChem CID 107465899) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
PubChem CID107465899
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C15H17ClN2O2S/c1-18(15-11-13(16)7-8-14(15)17)21(19,20)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10,17H2,1H3
InChIKeyXPDCRTNRIMXXAC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
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

N-(2-amino-5-chlorophenyl)-N-methyl-2-pyridin-4-ylethanesulfonamide
CID 107465876
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
4-chloro-2-N-methyl-2-N-(3-phenylpropyl)benzene-1,2-diamine
CID 115468658
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
4-chloro-2-[[methyl(3-phenylpropyl)amino]methyl]aniline
CID 79582235
2-amino-N-(4-chloro-2-methylphenyl)-N-methylethanesulfonamide
CID 28793905
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
N-(2-amino-5-chlorophenyl)-N-methylbenzamide
CID 107465675
2-chloro-4-(2-phenylethylsulfonyl)aniline
CID 81201936
N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
CID 107465906
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
CID 107465930
N-(2-amino-5-chlorophenyl)-N-methyloxane-4-sulfonamide
CID 107465842

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide (CID 107465899) is N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)CCc1ccccc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide?
The InChIKey is XPDCRTNRIMXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-18(15-11-13(16)7-8-14(15)17)21(19,20)10-9-12-5-3-2-4-6-12/h2-8,11H,9-10,17H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide?
N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-N-methyl-2-phenylethanesulfonamide is sourced from PubChem (CID 107465899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).