1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide

C15H17ClN2O2S — CID 61107643

IUPAC1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-5-1-12(2-6-14)9-10-18-21(19,20)11-13-3-7-15(17)8-4-13/h1-8,18H,9-11,17H2
InChIKeyGGXSJRSJQNMXAD-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide

1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide (PubChem CID 61107643) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
PubChem CID61107643
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
SMILESNc1ccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H17ClN2O2S/c16-14-5-1-12(2-6-14)9-10-18-21(19,20)11-13-3-7-15(17)8-4-13/h1-8,18H,9-11,17H2
InChIKeyGGXSJRSJQNMXAD-UHFFFAOYSA-N
XLogP2.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.58
H-Bond Donors ≤ 52
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

1-chloro-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 63666784
N-[2-(4-chlorophenyl)ethyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513383
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-(4-chlorophenyl)-N-[2-(1-methylpyrrol-3-yl)ethyl]methanesulfonamide
CID 110789278
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-[2-(4-aminophenyl)ethyl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120715601
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 51133224
N-butyl-1-(4-chlorophenyl)methanesulfonamide
CID 18891362
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
N-[2-(4-aminophenyl)ethyl]-2,6-dichlorobenzenesulfonamide
CID 63237501
1-(4-aminophenyl)-N-[2-(5-bromothiophen-2-yl)ethyl]methanesulfonamide
CID 106035136
1-(4-aminophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]methanesulfonamide
CID 106413641

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide (CID 61107643) is 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide is Nc1ccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
The InChIKey is GGXSJRSJQNMXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c16-14-5-1-12(2-6-14)9-10-18-21(19,20)11-13-3-7-15(17)8-4-13/h1-8,18H,9-11,17H2.
What are the key properties of 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide?
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 61107643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).