propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate

C14H19FN2O6S — CID 132501061

IUPACpropan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(C(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O6S/c1-9(2)22-13(18)16-17(14(19)23-10(3)4)24(20,21)12-7-5-11(15)6-8-12/h5-10H,1-4H3,(H,16,18)
InChIKeyHHTFGCQZSQFPEA-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.41
Rot. Bonds4

About propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate

propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate (PubChem CID 132501061) has the molecular formula C14H19FN2O6S and a molecular weight of 362.38 g/mol. Its IUPAC name is propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate
PubChem CID132501061
Molecular FormulaC14H19FN2O6S
Molecular Weight362.38 g/mol
Exact Mass362.09
IUPAC Namepropan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate
SMILESCC(C)OC(=O)NN(C(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H19FN2O6S/c1-9(2)22-13(18)16-17(14(19)23-10(3)4)24(20,21)12-7-5-11(15)6-8-12/h5-10H,1-4H3,(H,16,18)
InChIKeyHHTFGCQZSQFPEA-UHFFFAOYSA-N
XLogP2.41
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2-[benzyl-(4-fluorophenyl)sulfonylamino]acetate
CID 50894603
N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
4-[(4-fluorophenyl)sulfonyl-propan-2-ylamino]butanoic acid
CID 60829440
propan-2-yl 2-(2-bromo-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50890448
[3-(propan-2-yloxycarbonylamino)phenyl] N-(4-fluorophenyl)-N-methylcarbamate
CID 154118331
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
propan-2-yl 2-(2-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetate
CID 50893485
3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 8635365
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate
CID 7848755
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944092
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8944089

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate?
The IUPAC name of propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate (CID 132501061) is propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate.
What is the SMILES notation for propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate?
The canonical SMILES for propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate is CC(C)OC(=O)NN(C(=O)OC(C)C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate?
The InChIKey is HHTFGCQZSQFPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O6S/c1-9(2)22-13(18)16-17(14(19)23-10(3)4)24(20,21)12-7-5-11(15)6-8-12/h5-10H,1-4H3,(H,16,18).
What are the key properties of propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate?
propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate has a molecular weight of 362.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(4-fluorophenyl)sulfonyl-N-(propan-2-yloxycarbonylamino)carbamate is sourced from PubChem (CID 132501061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).