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

C14H22N2O5S2 — CID 135090049

IUPACN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O5S2/c1-11-5-4-6-13(7-11)23(19,20)15-14-9-21-8-12(14)10-22(17,18)16(2)3/h4-7,12,14-15H,8-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyIQJOTJIMOYFTRU-JSGCOSHPSA-N
MW362.47 g/mol
LogP0.18
Rot. Bonds6

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

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide (PubChem CID 135090049) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
PubChem CID135090049
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC NameN-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1
InChIInChI=1S/C14H22N2O5S2/c1-11-5-4-6-13(7-11)23(19,20)15-14-9-21-8-12(14)10-22(17,18)16(2)3/h4-7,12,14-15H,8-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyIQJOTJIMOYFTRU-JSGCOSHPSA-N
XLogP0.18
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 50.18
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-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluorobenzenesulfonamide
CID 135088272
N,N-dimethyl-1-[(3S,4R)-4-[(3-methylphenyl)methylsulfonylamino]oxolan-3-yl]methanesulfonamide
CID 135091024
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-fluoro-4-methylbenzenesulfonamide
CID 135104921
4-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135091810
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2,4-difluorobenzenesulfonamide
CID 135115370
2-(2,5-dimethylphenyl)-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]acetamide
CID 135094048
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxy-2-methylbenzamide
CID 135090735
1-[(3S,4R)-4-[(2-fluorophenyl)methylsulfonylamino]oxolan-3-yl]-N,N-dimethylmethanesulfonamide
CID 135109600
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-hydroxybenzamide
CID 135111757
N-[2-(aminomethyl)cyclohexyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119986263
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-fluoro-3-methylbenzamide
CID 135091177

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide (CID 135090049) is N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide?
The InChIKey is IQJOTJIMOYFTRU-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-11-5-4-6-13(7-11)23(19,20)15-14-9-21-8-12(14)10-22(17,18)16(2)3/h4-7,12,14-15H,8-10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide?
N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-3-methylbenzenesulfonamide has a molecular weight of 362.47 g/mol, XLogP of 0.18, 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-methylbenzenesulfonamide is sourced from PubChem (CID 135090049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).