N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide

C14H19FN2O4S — CID 135093823

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-17(2)22(19,20)9-10-7-21-8-13(10)16-14(18)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
InChIKeyBMPUPOSPTUJNQL-GWCFXTLKSA-N
MW330.38 g/mol
LogP0.46
Rot. Bonds5

About N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide (PubChem CID 135093823) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
PubChem CID135093823
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1F
InChIInChI=1S/C14H19FN2O4S/c1-17(2)22(19,20)9-10-7-21-8-13(10)16-14(18)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
InChIKeyBMPUPOSPTUJNQL-GWCFXTLKSA-N
XLogP0.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide
CID 135108936
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
CID 135091837
5-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]naphthalene-1-carboxamide
CID 135103204
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 135111929
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoxaline-5-carboxamide
CID 135091371
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135116985
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,6-dimethylpyridine-3-carboxamide
CID 135095221

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide (CID 135093823) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)c1ccccc1F.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide?
The InChIKey is BMPUPOSPTUJNQL-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-17(2)22(19,20)9-10-7-21-8-13(10)16-14(18)11-5-3-4-6-12(11)15/h3-6,10,13H,7-9H2,1-2H3,(H,16,18)/t10-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide has a molecular weight of 330.38 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 135093823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).