4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

C16H20N2O2S — CID 107863972

IUPAC4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11-9-15(17)10-12(2)16(11)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m1/s1
InChIKeyNUQOQPBGDFNLNM-CYBMUJFWSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds4

About 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide

4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (PubChem CID 107863972) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
PubChem CID107863972
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-11-9-15(17)10-12(2)16(11)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m1/s1
InChIKeyNUQOQPBGDFNLNM-CYBMUJFWSA-N
XLogP2.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.93
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

2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864030
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 30079896
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
5-amino-2-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 43094138
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
4-amino-N-but-3-en-2-yl-2,6-dimethylbenzenesulfonamide
CID 113480780
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
4-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2,6-dimethylbenzenesulfonamide
CID 79588447
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2,6-dimethylbenzenesulfonamide
CID 79588527

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide (CID 107863972) is 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
The InChIKey is NUQOQPBGDFNLNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-9-15(17)10-12(2)16(11)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m1/s1.
What are the key properties of 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide?
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 107863972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).