4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide

C16H20N2O2S — CID 43258809

IUPAC4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2O2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-15(17)11-13(16)2/h4-11H,3,12,17H2,1-2H3
InChIKeyIRWOIEDSGMYLFD-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.79
Rot. Bonds5

About 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide

4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide (PubChem CID 43258809) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
PubChem CID43258809
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C16H20N2O2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-15(17)11-13(16)2/h4-11H,3,12,17H2,1-2H3
InChIKeyIRWOIEDSGMYLFD-UHFFFAOYSA-N
XLogP2.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.79
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

4-amino-N-ethyl-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 61107370
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
CID 43258806
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-[(3-aminophenyl)methyl]-N-ethyl-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911327
N,N-dibenzyl-4-chloro-2,5-dimethylbenzenesulfonamide
CID 3844822
4-amino-N-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
4-amino-N-[(3-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61125461
4-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001466
N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
CID 113241829

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide (CID 43258809) is 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide?
The InChIKey is IRWOIEDSGMYLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-18(12-14-7-5-4-6-8-14)21(19,20)16-10-9-15(17)11-13(16)2/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide?
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 43258809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).