(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide

C10H13FN2O3S — CID 75500329

IUPAC(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C10H13FN2O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyRLISOYPVIQOPOL-ZETCQYMHSA-N
MW260.29 g/mol
LogP0.12
Rot. Bonds5

About (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide

(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide (PubChem CID 75500329) has the molecular formula C10H13FN2O3S and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide
PubChem CID75500329
Molecular FormulaC10H13FN2O3S
Molecular Weight260.29 g/mol
Exact Mass260.06
IUPAC Name(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide
SMILESC[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O
InChIInChI=1S/C10H13FN2O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6H2,1H3,(H2,12,14)/t7-/m0/s1
InChIKeyRLISOYPVIQOPOL-ZETCQYMHSA-N
XLogP0.12
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxybutanamide
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(2R)-N-hydroxy-3-methyl-2-[(2-phenylethane)sulfonamido]butanamide
CID 6539667
N-ethyl-1-(4-fluorophenyl)methanesulfonamide
CID 17741049
1-phenyl-N-(propan-2-yl)methanesulfonamide
CID 669278
N-Phenylalanyl-methansulfonamid
CID 103287274
2-[(2-Fluorophenyl)methylsulfonylamino]-3-phenylpropanamide
CID 53554893
1-(2-fluorophenyl)-N-isopropylmethanesulfonamide
CID 14879139
1-(4-fluorophenyl)-N-isopropylmethanesulfonamide
CID 17741054
(N-methyl-3-trifluoromethylbenzylsulfonamido)-acetamide
CID 15118086
2-(Toluene-4-sulfonylamino)-acetamide
CID 894071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide?
The IUPAC name of (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide (CID 75500329) is (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide is C[C@H](NS(=O)(=O)Cc1cccc(F)c1)C(N)=O.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide?
The InChIKey is RLISOYPVIQOPOL-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13FN2O3S/c1-7(10(12)14)13-17(15,16)6-8-3-2-4-9(11)5-8/h2-5,7,13H,6H2,1H3,(H2,12,14)/t7-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide?
(2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide has a molecular weight of 260.29 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluorophenyl)methylsulfonylamino]propanamide is sourced from PubChem (CID 75500329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).