N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide

C15H18N2O2S — CID 43298057

IUPACN-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-11-6-5-7-13(10-11)20(18,19)17-12(2)14-8-3-4-9-15(14)16/h3-10,12,17H,16H2,1-2H3
InChIKeyFFASLGNDBVMCKK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.62
Rot. Bonds4

About N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide

N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 43298057) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID43298057
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)c2ccccc2N)c1
InChIInChI=1S/C15H18N2O2S/c1-11-6-5-7-13(10-11)20(18,19)17-12(2)14-8-3-4-9-15(14)16/h3-10,12,17H,16H2,1-2H3
InChIKeyFFASLGNDBVMCKK-UHFFFAOYSA-N
XLogP2.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43298053
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
3-amino-5-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 61106187
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
4-amino-3-fluoro-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 82845464
3-amino-N-[1-(2-fluorophenyl)ethyl]-5-methylbenzenesulfonamide
CID 61107588
4-amino-3-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 82845290
N-(1-bromopropan-2-yl)-3-methylbenzenesulfonamide
CID 114294358
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3-acetyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169549
3-cyano-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 42999070
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide (CID 43298057) is N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC(C)c2ccccc2N)c1.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is FFASLGNDBVMCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-5-7-13(10-11)20(18,19)17-12(2)14-8-3-4-9-15(14)16/h3-10,12,17H,16H2,1-2H3.
What are the key properties of N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide?
N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 290.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 43298057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).