3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide

C14H16N2O2S — CID 30079896

IUPAC3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h2-11,16H,15H2,1H3/t11-/m0/s1
InChIKeyDIRHILGCVJICOQ-NSHDSACASA-N
MW276.36 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide

3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide (PubChem CID 30079896) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
PubChem CID30079896
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cccc(N)c1)c1ccccc1
InChIInChI=1S/C14H16N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h2-11,16H,15H2,1H3/t11-/m0/s1
InChIKeyDIRHILGCVJICOQ-NSHDSACASA-N
XLogP2.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.31
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

3-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125318
3-methyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 2423667
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
3-amino-N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 61106720
N-[1-(3-aminophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 43593641
N-[1-(4-aminophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 43297947
(2S,3S)-2-[(3-aminophenyl)sulfonylamino]-3-hydroxy-3-phenylpropanoic acid
CID 40547562
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide (CID 30079896) is 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1cccc(N)c1)c1ccccc1.
What is the InChIKey of 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide?
The InChIKey is DIRHILGCVJICOQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-11(12-6-3-2-4-7-12)16-19(17,18)14-9-5-8-13(15)10-14/h2-11,16H,15H2,1H3/t11-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide?
3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide has a molecular weight of 276.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 30079896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).