2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate

C9H12FN3O4S — CID 83201880

IUPAC2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C9H12FN3O4S/c10-6-3-7(11)5-8(4-6)18(15,16)13-1-2-17-9(12)14/h3-5,13H,1-2,11H2,(H2,12,14)
InChIKeyOKZINBKEVYSKGI-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.22
Rot. Bonds5

About 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate

2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate (PubChem CID 83201880) has the molecular formula C9H12FN3O4S and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
PubChem CID83201880
Molecular FormulaC9H12FN3O4S
Molecular Weight277.28 g/mol
Exact Mass277.05
IUPAC Name2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
SMILESNC(=O)OCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C9H12FN3O4S/c10-6-3-7(11)5-8(4-6)18(15,16)13-1-2-17-9(12)14/h3-5,13H,1-2,11H2,(H2,12,14)
InChIKeyOKZINBKEVYSKGI-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

3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
2-[(3-aminophenyl)sulfonylamino]ethyl carbamate
CID 83202632
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202378
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
2-[(3-bromophenyl)sulfonylamino]ethyl carbamate
CID 83204442
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
2-[(5-amino-2-fluoro-4-methylphenyl)sulfonylamino]ethyl carbamate
CID 83202296

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate?
The IUPAC name of 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate (CID 83201880) is 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate.
What is the SMILES notation for 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate?
The canonical SMILES for 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate is NC(=O)OCCNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate?
The InChIKey is OKZINBKEVYSKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O4S/c10-6-3-7(11)5-8(4-6)18(15,16)13-1-2-17-9(12)14/h3-5,13H,1-2,11H2,(H2,12,14).
What are the key properties of 2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate?
2-[(3-amino-5-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-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate is sourced from PubChem (CID 83201880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).