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

C13H18F2N2O5S2 — CID 135115370

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O5S2/c1-17(2)23(18,19)8-9-6-22-7-12(9)16-24(20,21)13-4-3-10(14)5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3/t9-,12-/m0/s1
InChIKeyDIQZCTJZWVGZAC-CABZTGNLSA-N
MW384.43 g/mol
LogP0.15
Rot. Bonds6

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

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide (PubChem CID 135115370) has the molecular formula C13H18F2N2O5S2 and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
PubChem CID135115370
Molecular FormulaC13H18F2N2O5S2
Molecular Weight384.43 g/mol
Exact Mass384.06
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H18F2N2O5S2/c1-17(2)23(18,19)8-9-6-22-7-12(9)16-24(20,21)13-4-3-10(14)5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3/t9-,12-/m0/s1
InChIKeyDIQZCTJZWVGZAC-CABZTGNLSA-N
XLogP0.15
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
CID 135088272
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzamide
CID 135090773
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
2-(2,4-difluorophenyl)-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135107957
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135106288
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4,5-trifluorobenzamide
CID 135094558
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-5-fluoro-1H-indole-2-carboxamide
CID 135099333
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluorobenzamide
CID 135093823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-6-methoxybenzamide
CID 135091837

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide (CID 135115370) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide?
The InChIKey is DIQZCTJZWVGZAC-CABZTGNLSA-N. The full InChI is InChI=1S/C13H18F2N2O5S2/c1-17(2)23(18,19)8-9-6-22-7-12(9)16-24(20,21)13-4-3-10(14)5-11(13)15/h3-5,9,12,16H,6-8H2,1-2H3/t9-,12-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide has a molecular weight of 384.43 g/mol, XLogP of 0.15, 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]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 135115370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).