ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate

C9H10ClFN2O4S — CID 47309506

IUPACethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O4S/c1-2-17-9(14)12-13-18(15,16)7-5-3-4-6(10)8(7)11/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyFGQZWFOOKRSESZ-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.42
Rot. Bonds4

About ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate

ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate (PubChem CID 47309506) has the molecular formula C9H10ClFN2O4S and a molecular weight of 296.71 g/mol. Its IUPAC name is ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
PubChem CID47309506
Molecular FormulaC9H10ClFN2O4S
Molecular Weight296.71 g/mol
Exact Mass296.00
IUPAC Nameethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
SMILESCCOC(=O)NNS(=O)(=O)c1cccc(Cl)c1F
InChIInChI=1S/C9H10ClFN2O4S/c1-2-17-9(14)12-13-18(15,16)7-5-3-4-6(10)8(7)11/h3-5,13H,2H2,1H3,(H,12,14)
InChIKeyFGQZWFOOKRSESZ-UHFFFAOYSA-N
XLogP1.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[(2,6-dichloro-3-pyridinyl)sulfonylamino]carbamate
CID 51129533
ethyl N-[(2-methylbenzotriazol-4-yl)sulfonylamino]carbamate
CID 138009542
N'-(2,3-dichlorophenyl)sulfonylpropanehydrazide
CID 8505483
ethyl 2-[(3-chloro-2-fluorophenyl)sulfonyl-propan-2-ylamino]acetate
CID 61022883
tert-butyl N-[(2,3-dichlorophenyl)sulfonylamino]carbamate
CID 8500966
N-(3-aminobutyl)-3-chloro-2-fluorobenzenesulfonamide
CID 63251282
3-chloro-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502012
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
ethyl N-[(5-fluoro-4-methyl-2-nitrophenyl)sulfonylamino]carbamate
CID 126831124
ethyl N-[(2-fluoro-5-methyl-4-nitrophenyl)sulfonylamino]carbamate
CID 126824028
tert-butyl N-[(2-chlorophenyl)sulfonylamino]carbamate
CID 8500976
ethyl N-[2-(2-chlorophenyl)ethenylsulfonylamino]carbamate
CID 72685063

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate?
The IUPAC name of ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate (CID 47309506) is ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate.
What is the SMILES notation for ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate?
The canonical SMILES for ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate is CCOC(=O)NNS(=O)(=O)c1cccc(Cl)c1F.
What is the InChIKey of ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate?
The InChIKey is FGQZWFOOKRSESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2O4S/c1-2-17-9(14)12-13-18(15,16)7-5-3-4-6(10)8(7)11/h3-5,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate?
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate has a molecular weight of 296.71 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate is sourced from PubChem (CID 47309506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).