methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate

C8H11N3O6S2 — CID 113343903

IUPACmethyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11N3O6S2/c1-17-8(12)11-19(15,16)10-6-3-2-4-7(5-6)18(9,13)14/h2-5,10H,1H3,(H,11,12)(H2,9,13,14)
InChIKeyOOIFWZUMXBHLBP-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.65
Rot. Bonds4

About methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate

methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate (PubChem CID 113343903) has the molecular formula C8H11N3O6S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
PubChem CID113343903
Molecular FormulaC8H11N3O6S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Namemethyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C8H11N3O6S2/c1-17-8(12)11-19(15,16)10-6-3-2-4-7(5-6)18(9,13)14/h2-5,10H,1H3,(H,11,12)(H2,9,13,14)
InChIKeyOOIFWZUMXBHLBP-UHFFFAOYSA-N
XLogP-0.65
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(ethylsulfamoylamino)benzenesulfonamide
CID 114812411
methyl 3-[(3-sulfamoylphenyl)sulfamoyl]propanoate
CID 60675335
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
CID 114466073
methyl 4-[(3-sulfamoylphenyl)sulfamoyl]butanoate
CID 61457458
methyl N-[(4-bromo-3-chlorophenyl)sulfamoyl]carbamate
CID 107612728
3-(2-hydroxyethylsulfonylamino)benzenesulfonamide
CID 79026524
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-(2-methylsulfonylethylsulfonylamino)benzenesulfonamide
CID 63243241
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate (CID 113343903) is methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate?
The InChIKey is OOIFWZUMXBHLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S2/c1-17-8(12)11-19(15,16)10-6-3-2-4-7(5-6)18(9,13)14/h2-5,10H,1H3,(H,11,12)(H2,9,13,14).
What are the key properties of methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate?
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate has a molecular weight of 309.33 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 113343903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).