6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

C16H20N2O2S — CID 107864030

IUPAC6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-9-10-15(17)16(12(11)2)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m0/s1
InChIKeyADWWCQPJYWRKLC-ZDUSSCGKSA-N
MW304.42 g/mol
LogP2.93
Rot. Bonds4

About 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide

6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 107864030) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID107864030
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1C
InChIInChI=1S/C16H20N2O2S/c1-11-9-10-15(17)16(12(11)2)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m0/s1
InChIKeyADWWCQPJYWRKLC-ZDUSSCGKSA-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

2,3,5,6-tetramethyl-N-(1-phenylethyl)benzenesulfonamide
CID 19680818
4-amino-2,6-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 107863972
6-amino-2,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43258845
2,4,6-trimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 3700148
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
6-amino-N-(1,3-dihydroxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 65309956
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
6-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 61476354
2-amino-N-[1-(3-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 61105602
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
6-amino-N-[(2S)-2-hydroxypropyl]-2,3-dimethylbenzenesulfonamide
CID 93081246
3-amino-2,6-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 43256917

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 107864030) is 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1C.
What is the InChIKey of 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is ADWWCQPJYWRKLC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-9-10-15(17)16(12(11)2)21(19,20)18-13(3)14-7-5-4-6-8-14/h4-10,13,18H,17H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide?
6-amino-2,3-dimethyl-N-[(1S)-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 6-amino-2,3-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 107864030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).