benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid

C13H18N2O5S — CID 69110316

IUPACbenzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O5S/c16-13(17)15(10-11-5-2-1-3-6-11)21(18,19)14-9-12-7-4-8-20-12/h1-3,5-6,12,14H,4,7-10H2,(H,16,17)
InChIKeyIOCKKEKOOXLKPA-UHFFFAOYSA-N
MW314.36 g/mol
LogP1.18
Rot. Bonds6

About benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid

benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid (PubChem CID 69110316) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid
PubChem CID69110316
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Namebenzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)S(=O)(=O)NCC1CCCO1
InChIInChI=1S/C13H18N2O5S/c16-13(17)15(10-11-5-2-1-3-6-11)21(18,19)14-9-12-7-4-8-20-12/h1-3,5-6,12,14H,4,7-10H2,(H,16,17)
InChIKeyIOCKKEKOOXLKPA-UHFFFAOYSA-N
XLogP1.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl(cyclohexylsulfamoyl)carbamic acid
CID 66859599
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
4-N-benzyl-4-N-[(2-chlorophenyl)methyl]-1-N-[[(2S)-oxolan-2-yl]methyl]benzene-1,4-disulfonamide
CID 1176737
N'-benzyl-N'-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)oxamide
CID 108507589
1-N-benzyl-2-N-(oxolan-2-ylmethyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133594
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 2123351
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1109412
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-phenylpropanamide
CID 23722959
N-benzyl-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-propylbenzamide
CID 43020416

Frequently Asked Questions

What is the IUPAC name of benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid?
The IUPAC name of benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid (CID 69110316) is benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid.
What is the SMILES notation for benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid?
The canonical SMILES for benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid is O=C(O)N(Cc1ccccc1)S(=O)(=O)NCC1CCCO1.
What is the InChIKey of benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid?
The InChIKey is IOCKKEKOOXLKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c16-13(17)15(10-11-5-2-1-3-6-11)21(18,19)14-9-12-7-4-8-20-12/h1-3,5-6,12,14H,4,7-10H2,(H,16,17).
What are the key properties of benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid?
benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid has a molecular weight of 314.36 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(oxolan-2-ylmethylsulfamoyl)carbamic acid is sourced from PubChem (CID 69110316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).