2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate

C9H12FN3O4S — CID 83202803

IUPAC2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C9H12FN3O4S/c10-6-2-1-3-7(11)8(6)18(15,16)13-4-5-17-9(12)14/h1-3,13H,4-5,11H2,(H2,12,14)
InChIKeyGKWBULWHLQOVHQ-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.22
Rot. Bonds5

About 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate

2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83202803) has the molecular formula C9H12FN3O4S and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
PubChem CID83202803
Molecular FormulaC9H12FN3O4S
Molecular Weight277.28 g/mol
Exact Mass277.05
IUPAC Name2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C9H12FN3O4S/c10-6-2-1-3-7(11)8(6)18(15,16)13-4-5-17-9(12)14/h1-3,13H,4-5,11H2,(H2,12,14)
InChIKeyGKWBULWHLQOVHQ-UHFFFAOYSA-N
XLogP-0.22
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-amino-6-fluoro-N-(3-methylsulfinylpropyl)benzenesulfonamide
CID 113487178
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
2-amino-6-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238706
2-amino-6-fluoro-N-(2-thiomorpholin-4-ylethyl)benzenesulfonamide
CID 106324656
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
2-amino-6-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551282
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate (CID 83202803) is 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is GKWBULWHLQOVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4S/c10-6-2-1-3-7(11)8(6)18(15,16)13-4-5-17-9(12)14/h1-3,13H,4-5,11H2,(H2,12,14).
What are the key properties of 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate?
2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate has a molecular weight of 277.28 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluorophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83202803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).