N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide

C15H17FN2O2S — CID 97238580

IUPACN-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-7-13(16)9-14(8-11)21(19,20)18-10-15(17)12-5-3-2-4-6-12/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1
InChIKeyYMUQIDDIBUAHAP-OAHLLOKOSA-N
MW308.38 g/mol
LogP2.11
Rot. Bonds5

About N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide

N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 97238580) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
PubChem CID97238580
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-7-13(16)9-14(8-11)21(19,20)18-10-15(17)12-5-3-2-4-6-12/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1
InChIKeyYMUQIDDIBUAHAP-OAHLLOKOSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-amino-2-phenylethyl]-3,4,5-trifluorobenzenesulfonamide
CID 97238577
N-(2-amino-2-phenylethyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119976287
N-(2-amino-2-phenylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 75431000
N-[(2R)-2-amino-2-phenylethyl]methanesulfonamide
CID 10656269
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
N-(2-amino-2-phenylethyl)-4-methyl-2-nitrobenzenesulfonamide
CID 84591511
N-(2-amino-2-phenylethyl)-4,5-dimethyl-2-nitrobenzenesulfonamide
CID 119976158
N-[(2S)-2-amino-2-phenylethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 97238560
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
N-(2-amino-2-phenylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 75386776
N-(2-amino-1,2-diphenylethyl)-3,5-dimethylbenzenesulfonamide
CID 23020097
N-(3-aminopropyl)-3-fluoro-5-methylbenzenesulfonamide;hydrochloride
CID 86780635

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide (CID 97238580) is N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide is Cc1cc(F)cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1.
What is the InChIKey of N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is YMUQIDDIBUAHAP-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-7-13(16)9-14(8-11)21(19,20)18-10-15(17)12-5-3-2-4-6-12/h2-9,15,18H,10,17H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide?
N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-2-phenylethyl]-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 97238580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).