(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide

C17H21FN2OS — CID 140777568

IUPAC(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide
SMILESCC(C)(C[C@@H](c1ccccc1)c1ccc(F)c(N)c1)S(N)=O
InChIInChI=1S/C17H21FN2OS/c1-17(2,22(20)21)11-14(12-6-4-3-5-7-12)13-8-9-15(18)16(19)10-13/h3-10,14H,11,19-20H2,1-2H3/t14-,22?/m0/s1
InChIKeyWEPIHUAOTHOYST-XLEXHMCLSA-N
MW320.43 g/mol
LogP3.33
Rot. Bonds5

About (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide

(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide (PubChem CID 140777568) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide
PubChem CID140777568
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide
SMILESCC(C)(C[C@@H](c1ccccc1)c1ccc(F)c(N)c1)S(N)=O
InChIInChI=1S/C17H21FN2OS/c1-17(2,22(20)21)11-14(12-6-4-3-5-7-12)13-8-9-15(18)16(19)10-13/h3-10,14H,11,19-20H2,1-2H3/t14-,22?/m0/s1
InChIKeyWEPIHUAOTHOYST-XLEXHMCLSA-N
XLogP3.33
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide?
The IUPAC name of (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide (CID 140777568) is (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide.
What is the SMILES notation for (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide?
The canonical SMILES for (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide is CC(C)(C[C@@H](c1ccccc1)c1ccc(F)c(N)c1)S(N)=O.
What is the InChIKey of (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide?
The InChIKey is WEPIHUAOTHOYST-XLEXHMCLSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-17(2,22(20)21)11-14(12-6-4-3-5-7-12)13-8-9-15(18)16(19)10-13/h3-10,14H,11,19-20H2,1-2H3/t14-,22?/m0/s1.
What are the key properties of (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide?
(4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide has a molecular weight of 320.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-amino-4-fluorophenyl)-2-methyl-4-phenylbutane-2-sulfinamide is sourced from PubChem (CID 140777568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).