4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide

C13H19ClN2O5S2 — CID 135091810

IUPAC4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-11(14)4-6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyOCOKPQZROLZDLP-GXFFZTMASA-N
MW382.89 g/mol
LogP0.52
Rot. Bonds6

About 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide

4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135091810) has the molecular formula C13H19ClN2O5S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135091810
Molecular FormulaC13H19ClN2O5S2
Molecular Weight382.89 g/mol
Exact Mass382.04
IUPAC Name4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-11(14)4-6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13+/m0/s1
InChIKeyOCOKPQZROLZDLP-GXFFZTMASA-N
XLogP0.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135106288
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
CID 135088272
1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
CID 156583823
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135109600
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-sulfamoylbenzamide
CID 163312504
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-methylbenzamide
CID 135099590
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1,2-oxazole-3-carboxamide
CID 135120046

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135091810) is 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is OCOKPQZROLZDLP-GXFFZTMASA-N. The full InChI is InChI=1S/C13H19ClN2O5S2/c1-16(2)22(17,18)9-10-7-21-8-13(10)15-23(19,20)12-5-3-11(14)4-6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13+/m0/s1.
What are the key properties of 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide has a molecular weight of 382.89 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135091810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).