1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide

C16H20N2O2S — CID 62314442

IUPAC1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-13-3-2-4-14(11-13)9-10-18-21(19,20)12-15-5-7-16(17)8-6-15/h2-8,11,18H,9-10,12,17H2,1H3
InChIKeyNBYDBXPHZZCTSU-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.24
Rot. Bonds6

About 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide

1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide (PubChem CID 62314442) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
PubChem CID62314442
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
SMILESCc1cccc(CCNS(=O)(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C16H20N2O2S/c1-13-3-2-4-14(11-13)9-10-18-21(19,20)12-15-5-7-16(17)8-6-15/h2-8,11,18H,9-10,12,17H2,1H3
InChIKeyNBYDBXPHZZCTSU-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.24
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

N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
2-(methylamino)-N-[2-(3-methylphenyl)ethyl]ethanesulfonamide
CID 55062668
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-(4-aminophenyl)-N-[2-(4-chlorophenyl)ethyl]methanesulfonamide
CID 61107643
2-amino-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 62313894
1-(4-aminophenyl)-N-propylmethanesulfonamide
CID 28546657
1-[4-(aminomethyl)phenyl]-N-(2-phenylethyl)methanesulfonamide
CID 29034543
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
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-(3-methylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide (CID 62314442) is 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide is Cc1cccc(CCNS(=O)(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide?
The InChIKey is NBYDBXPHZZCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13-3-2-4-14(11-13)9-10-18-21(19,20)12-15-5-7-16(17)8-6-15/h2-8,11,18H,9-10,12,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide?
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.24, 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-(3-methylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 62314442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).