5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide

C16H20N2O2S — CID 43256238

IUPAC5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-3-14-9-10-15(17)11-16(14)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyPKLPPHLWIZZTJI-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.65
Rot. Bonds5

About 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide

5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide (PubChem CID 43256238) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
PubChem CID43256238
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide
SMILESCCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-3-14-9-10-15(17)11-16(14)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3
InChIKeyPKLPPHLWIZZTJI-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-benzyl-2-methoxy-N-methylbenzenesulfonamide
CID 43258003
5-amino-2-ethyl-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333305
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
CID 43256233
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
5-amino-2-ethyl-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114748
5-amino-N,N,2-triethylbenzenesulfonamide
CID 43255626
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
2-(aminomethyl)-N-benzyl-N-methylbenzenesulfonamide;hydrochloride
CID 69275017
4-amino-N-benzyl-2,6-dichloro-N-methylbenzenesulfonamide
CID 43258005
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
2-amino-N-benzyl-4-methoxy-N-methylbenzenesulfonamide
CID 29278456

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide (CID 43256238) is 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide is CCc1ccc(N)cc1S(=O)(=O)N(C)Cc1ccccc1.
What is the InChIKey of 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide?
The InChIKey is PKLPPHLWIZZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-14-9-10-15(17)11-16(14)21(19,20)18(2)12-13-7-5-4-6-8-13/h4-11H,3,12,17H2,1-2H3.
What are the key properties of 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide?
5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-2-ethyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43256238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).