(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide

C12H16F2N2O4S — CID 25155085

IUPAC(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide
SMILESC[C@H](F)C(=O)N[C@H](CF)[C@H](O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16F2N2O4S/c1-7(14)12(18)16-10(6-13)11(17)8-2-4-9(5-3-8)21(15,19)20/h2-5,7,10-11,17H,6H2,1H3,(H,16,18)(H2,15,19,20)/t7-,10+,11+/m0/s1
InChIKeyJBVWPSXVDOGSHO-WHGOUJPWSA-N
MW322.33 g/mol
LogP0.18
Rot. Bonds6

About (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide

(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide (PubChem CID 25155085) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide
PubChem CID25155085
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide
SMILESC[C@H](F)C(=O)N[C@H](CF)[C@H](O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H16F2N2O4S/c1-7(14)12(18)16-10(6-13)11(17)8-2-4-9(5-3-8)21(15,19)20/h2-5,7,10-11,17H,6H2,1H3,(H,16,18)(H2,15,19,20)/t7-,10+,11+/m0/s1
InChIKeyJBVWPSXVDOGSHO-WHGOUJPWSA-N
XLogP0.18
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide with MolForge

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Related Compounds

[(1S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]carbamic acid
CID 175773285
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
CID 14597706
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
2,3-dihydroxy-3-(4-sulfamoylphenyl)propanoic acid
CID 170824387
4-[(1R)-2-[(2,2-dichloroacetyl)amino]-3-fluoro-1-hydroxypropyl]benzoic acid
CID 58631113
N-[(1R,2S)-1-(4-acetylphenyl)-3-fluoro-1-hydroxypropan-2-yl]-2-chloro-2-fluoroacetamide
CID 58631161
(2R)-2-(4-sulfamoylphenyl)propanoic acid
CID 124571575
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]-3-propan-2-yloxypropanamide
CID 19857342
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanethioamide
CID 19422981
2,2-difluoro-N-[(1S,2S)-3-fluoro-1-hydroxy-1-[4-[6-(sulfamoylmethyl)-3-pyridinyl]phenyl]propan-2-yl]acetamide
CID 90074737
(2S)-2-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]hexanamide
CID 124846028
5-amino-2-methyl-N-[1-(4-sulfamoylphenyl)ethyl]pentanamide
CID 104683857

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide?
The IUPAC name of (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide (CID 25155085) is (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide?
The canonical SMILES for (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide is C[C@H](F)C(=O)N[C@H](CF)[C@H](O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide?
The InChIKey is JBVWPSXVDOGSHO-WHGOUJPWSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-7(14)12(18)16-10(6-13)11(17)8-2-4-9(5-3-8)21(15,19)20/h2-5,7,10-11,17H,6H2,1H3,(H,16,18)(H2,15,19,20)/t7-,10+,11+/m0/s1.
What are the key properties of (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide?
(2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide has a molecular weight of 322.33 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-sulfamoylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 25155085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).