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

C13H19ClN2O5S2 — CID 135106288

IUPAC3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O5S2/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
InChIKeyUITKJIRBQQCOBL-GWCFXTLKSA-N
MW382.89 g/mol
LogP0.52
Rot. Bonds6

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

3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide (PubChem CID 135106288) has the molecular formula C13H19ClN2O5S2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
PubChem CID135106288
Molecular FormulaC13H19ClN2O5S2
Molecular Weight382.89 g/mol
Exact Mass382.04
IUPAC Name3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2O5S2/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
InChIKeyUITKJIRBQQCOBL-GWCFXTLKSA-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

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
CID 135090049
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
CID 135088272
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
1-(4-chlorophenyl)-3-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]urea
CID 156583823
3,4-dichloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzamide
CID 135088948
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
5-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]naphthalene-1-carboxamide
CID 135103204
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide (CID 135106288) is 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide is CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
The InChIKey is UITKJIRBQQCOBL-GWCFXTLKSA-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)12-5-3-4-11(14)6-12/h3-6,10,13,15H,7-9H2,1-2H3/t10-,13-/m0/s1.
What are the key properties of 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide?
3-chloro-N-[(3R,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 3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 135106288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).