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

C13H19FN2O4S — CID 164548562

IUPACtert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-13(2,3)20-12(17)15-7-8-16-21(18,19)11-6-4-5-10(14)9-11/h4-6,9,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyUOIQUOYEILXYPW-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.63
Rot. Bonds5

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

tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate (PubChem CID 164548562) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
PubChem CID164548562
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Nametert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C13H19FN2O4S/c1-13(2,3)20-12(17)15-7-8-16-21(18,19)11-6-4-5-10(14)9-11/h4-6,9,16H,7-8H2,1-3H3,(H,15,17)
InChIKeyUOIQUOYEILXYPW-UHFFFAOYSA-N
XLogP1.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
tert-butyl N-[2-[[3-(3-ethoxypropanoylamino)phenyl]sulfonylamino]ethyl]carbamate
CID 56502577
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
tert-butyl N-[2-[[3-[[(2R)-2-phenylbutanoyl]amino]phenyl]sulfonylamino]ethyl]carbamate
CID 52511775
tert-butyl N-[2-[(5-amino-2,4-difluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932750
tert-butyl N-[2-[[3-[[(Z)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]sulfonylamino]ethyl]carbamate
CID 97435406
tert-butyl N-[2-[5-(3-fluorophenyl)sulfonyl-1-benzofuran-3-yl]ethyl]carbamate
CID 86673691
tert-butyl N-[2-[[N'-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111883640
N-(2-ethoxyethyl)-3-fluorobenzenesulfonamide
CID 47304916
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
N-[2-(benzenesulfonamido)ethyl]-2-(3-fluorophenoxy)propanamide
CID 78852521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate (CID 164548562) is tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate?
The InChIKey is UOIQUOYEILXYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-13(2,3)20-12(17)15-7-8-16-21(18,19)11-6-4-5-10(14)9-11/h4-6,9,16H,7-8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate?
tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate has a molecular weight of 318.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate is sourced from PubChem (CID 164548562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).