methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate

C8H9Cl2N3O6S2 — CID 114466073

IUPACmethyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H9Cl2N3O6S2/c1-19-8(14)13-21(17,18)12-7-5(9)2-4(3-6(7)10)20(11,15)16/h2-3,12H,1H3,(H,13,14)(H2,11,15,16)
InChIKeyAWQMSYYXWYRVMQ-UHFFFAOYSA-N
MW378.22 g/mol
LogP0.65
Rot. Bonds4

About methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate

methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate (PubChem CID 114466073) has the molecular formula C8H9Cl2N3O6S2 and a molecular weight of 378.22 g/mol. Its IUPAC name is methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
PubChem CID114466073
Molecular FormulaC8H9Cl2N3O6S2
Molecular Weight378.22 g/mol
Exact Mass376.93
IUPAC Namemethyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate
SMILESCOC(=O)NS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C8H9Cl2N3O6S2/c1-19-8(14)13-21(17,18)12-7-5(9)2-4(3-6(7)10)20(11,15)16/h2-3,12H,1H3,(H,13,14)(H2,11,15,16)
InChIKeyAWQMSYYXWYRVMQ-UHFFFAOYSA-N
XLogP0.65
TPSA144.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dichloro-4-(methanesulfonamido)benzenesulfonamide
CID 43134231
3,5-dichloro-4-(ethylsulfamoylamino)benzenesulfonamide
CID 114812536
3,5-dichloro-4-(sulfamoylamino)benzenesulfonamide
CID 115580042
methyl N-[(3-sulfamoylphenyl)sulfamoyl]carbamate
CID 113343903
dimethyl (E)-2-(2,6-dichloro-4-sulfamoylanilino)but-2-enedioate
CID 168566914
N-(2,6-dichloro-4-sulfamoylphenyl)-3-methylbut-2-enamide
CID 61128272
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
methyl N-[(2,6-diethylphenyl)sulfamoyl]carbamate
CID 110193344
3-chloro-4-(2-methoxyethylsulfonylamino)-5-methylbenzenesulfonamide
CID 66256597
N-(2,6-dichloro-4-sulfamoylphenyl)cyclopentanecarboxamide
CID 43246828
N-(2,6-dichloro-4-sulfamoylphenyl)-3,3,3-trifluoropropanamide
CID 43246826
N-(2-chloro-6-methyl-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 66256512

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate?
The IUPAC name of methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate (CID 114466073) is methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate.
What is the SMILES notation for methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate?
The canonical SMILES for methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate is COC(=O)NS(=O)(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate?
The InChIKey is AWQMSYYXWYRVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N3O6S2/c1-19-8(14)13-21(17,18)12-7-5(9)2-4(3-6(7)10)20(11,15)16/h2-3,12H,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate?
methyl N-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate has a molecular weight of 378.22 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-[(2,6-dichloro-4-sulfamoylphenyl)sulfamoyl]carbamate is sourced from PubChem (CID 114466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).