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

C13H19FN2O5S2 — CID 135088272

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-4-11(14)6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyUYKQAHLMQSQHQJ-GWCFXTLKSA-N
MW366.44 g/mol
LogP0.01
Rot. Bonds6

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

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide (PubChem CID 135088272) has the molecular formula C13H19FN2O5S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
PubChem CID135088272
Molecular FormulaC13H19FN2O5S2
Molecular Weight366.44 g/mol
Exact Mass366.07
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-4-11(14)6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13-/m0/s1
InChIKeyUYKQAHLMQSQHQJ-GWCFXTLKSA-N
XLogP0.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide (CID 135088272) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide?
The InChIKey is UYKQAHLMQSQHQJ-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H19FN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-4-11(14)6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 135088272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).