methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate

C8H8Cl2N2O4S — CID 8501036

IUPACmethyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2N2O4S/c1-16-8(13)11-12-17(14,15)7-3-5(9)2-6(10)4-7/h2-4,12H,1H3,(H,11,13)
InChIKeyLJOOXSFALIMITQ-UHFFFAOYSA-N
MW299.14 g/mol
LogP1.54
Rot. Bonds3

About methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate

methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate (PubChem CID 8501036) has the molecular formula C8H8Cl2N2O4S and a molecular weight of 299.14 g/mol. Its IUPAC name is methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
PubChem CID8501036
Molecular FormulaC8H8Cl2N2O4S
Molecular Weight299.14 g/mol
Exact Mass297.96
IUPAC Namemethyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
SMILESCOC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl2N2O4S/c1-16-8(13)11-12-17(14,15)7-3-5(9)2-6(10)4-7/h2-4,12H,1H3,(H,11,13)
InChIKeyLJOOXSFALIMITQ-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate
CID 8500975
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
methyl N-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]carbamate
CID 8501015
N'-(3,5-dichlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 8616766
N'-(3,5-dichlorophenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617286
methyl 2-[(3,5-dichlorophenyl)sulfonylamino]acetate
CID 43404992
N-cyclopropyl-2-[2-(3,5-dichlorophenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 8841266
tert-butyl N-[(3,4-dichlorophenyl)sulfonylamino]carbamate
CID 8500952
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
N'-(3,5-dichlorophenyl)sulfonylfuran-2-carbohydrazide
CID 8616927
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395

Frequently Asked Questions

What is the IUPAC name of methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The IUPAC name of methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate (CID 8501036) is methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate.
What is the SMILES notation for methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The canonical SMILES for methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate is COC(=O)NNS(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
The InChIKey is LJOOXSFALIMITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O4S/c1-16-8(13)11-12-17(14,15)7-3-5(9)2-6(10)4-7/h2-4,12H,1H3,(H,11,13).
What are the key properties of methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate?
methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate has a molecular weight of 299.14 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3,5-dichlorophenyl)sulfonylamino]carbamate is sourced from PubChem (CID 8501036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).