cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid

C13H16FNO5S — CID 175284772

IUPACcyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid
SMILESO=C(OC1CCCCC1)N(c1ccccc1F)S(=O)(=O)O
InChIInChI=1S/C13H16FNO5S/c14-11-8-4-5-9-12(11)15(21(17,18)19)13(16)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,18,19)
InChIKeyRZQLFNZZFSKEPL-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.90
Rot. Bonds3

About cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid

cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid (PubChem CID 175284772) has the molecular formula C13H16FNO5S and a molecular weight of 317.34 g/mol. Its IUPAC name is cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid.

Molecular Properties

Compound Namecyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid
PubChem CID175284772
Molecular FormulaC13H16FNO5S
Molecular Weight317.34 g/mol
Exact Mass317.07
IUPAC Namecyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid
SMILESO=C(OC1CCCCC1)N(c1ccccc1F)S(=O)(=O)O
InChIInChI=1S/C13H16FNO5S/c14-11-8-4-5-9-12(11)15(21(17,18)19)13(16)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,18,19)
InChIKeyRZQLFNZZFSKEPL-UHFFFAOYSA-N
XLogP2.90
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

cyclohexyl N-phenylcarbamate
CID 246597
Cyclohexyl N-(4-fluorophenyl)carbamate
CID 4414331
propan-2-yl N-(4-fluorophenyl)-N-propan-2-yloxycarbonylcarbamate
CID 302986
[(1R,2R)-2-fluorocyclohexyl] N-phenylcarbamate
CID 10988293
ethyl N-fluorosulfonyl-N-phenylcarbamate
CID 17806341
(4,4-difluorocyclohexyl) N-phenylcarbamate
CID 90110321
hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate
CID 91229817
hexyl N-(2-fluorophenyl)-N-phenylcarbamate
CID 91318061
cyclohexyl N-(2-fluorophenyl)carbamate
CID 127539169
Cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid
CID 174719410
(4-fluorocyclohexyl) N-phenylcarbamate
CID 5238928
ethyl N-(2-fluorophenyl)-N-methylsulfonylcarbamate
CID 10730111

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid?
The IUPAC name of cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid (CID 175284772) is cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid.
What is the SMILES notation for cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid?
The canonical SMILES for cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid is O=C(OC1CCCCC1)N(c1ccccc1F)S(=O)(=O)O.
What is the InChIKey of cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid?
The InChIKey is RZQLFNZZFSKEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5S/c14-11-8-4-5-9-12(11)15(21(17,18)19)13(16)20-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,18,19).
What are the key properties of cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid?
cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid has a molecular weight of 317.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxycarbonyl-(2-fluorophenyl)sulfamic acid is sourced from PubChem (CID 175284772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).