sulfamoyl N-(4-methylphenyl)sulfonylcarbamate

C8H10N2O6S2 — CID 10017321

IUPACsulfamoyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OS(N)(=O)=O)cc1
InChIInChI=1S/C8H10N2O6S2/c1-6-2-4-7(5-3-6)17(12,13)10-8(11)16-18(9,14)15/h2-5H,1H3,(H,10,11)(H2,9,14,15)
InChIKeyQNKNNYFETIBOSQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.39
Rot. Bonds3

About sulfamoyl N-(4-methylphenyl)sulfonylcarbamate

sulfamoyl N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 10017321) has the molecular formula C8H10N2O6S2 and a molecular weight of 294.31 g/mol. Its IUPAC name is sulfamoyl N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namesulfamoyl N-(4-methylphenyl)sulfonylcarbamate
PubChem CID10017321
Molecular FormulaC8H10N2O6S2
Molecular Weight294.31 g/mol
Exact Mass294.00
IUPAC Namesulfamoyl N-(4-methylphenyl)sulfonylcarbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)OS(N)(=O)=O)cc1
InChIInChI=1S/C8H10N2O6S2/c1-6-2-4-7(5-3-6)17(12,13)10-8(11)16-18(9,14)15/h2-5H,1H3,(H,10,11)(H2,9,14,15)
InChIKeyQNKNNYFETIBOSQ-UHFFFAOYSA-N
XLogP-0.39
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)sulfonylurea;urea
CID 160676948
1-aminopropan-2-yl N-(4-methylphenyl)sulfonylcarbamate
CID 110192023
2-cyanoethyl N-(4-methylphenyl)sulfonylcarbamate
CID 101122672
[(1R,4S)-4-[(4-methylphenyl)sulfonylcarbamoyloxy]cyclohex-2-en-1-yl] N-(4-methylphenyl)sulfonylcarbamate
CID 11005717
1,1,3-tris-(4-methylphenyl)sulfonylurea
CID 91086807
5-methylhexa-3,4-dienyl N-(4-methylphenyl)sulfonylcarbamate
CID 101084497
[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
potassium methyl N-(4-aminophenyl)sulfonylcarbamate
CID 20981828
1-amino-3-(4-methylphenyl)sulfonylthiourea
CID 91622634
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
ethyl N-(4-fluorophenyl)sulfonylcarbamate
CID 19693765

Frequently Asked Questions

What is the IUPAC name of sulfamoyl N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of sulfamoyl N-(4-methylphenyl)sulfonylcarbamate (CID 10017321) is sulfamoyl N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for sulfamoyl N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for sulfamoyl N-(4-methylphenyl)sulfonylcarbamate is Cc1ccc(S(=O)(=O)NC(=O)OS(N)(=O)=O)cc1.
What is the InChIKey of sulfamoyl N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is QNKNNYFETIBOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O6S2/c1-6-2-4-7(5-3-6)17(12,13)10-8(11)16-18(9,14)15/h2-5H,1H3,(H,10,11)(H2,9,14,15).
What are the key properties of sulfamoyl N-(4-methylphenyl)sulfonylcarbamate?
sulfamoyl N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 294.31 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sulfamoyl N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 10017321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).