[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate

C14H17ClFNO6S — CID 175338289

IUPAC[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
SMILESNC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CCF)CCOCC2)c1O
InChIInChI=1S/C14H17ClFNO6S/c15-9-1-2-10(23-13(17)19)11(18)12(9)24(20,21)14(3-6-16)4-7-22-8-5-14/h1-2,18H,3-8H2,(H2,17,19)
InChIKeyNYUTVSODGLKCFR-UHFFFAOYSA-N
MW381.81 g/mol
LogP2.19
Rot. Bonds5

About [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate

[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate (PubChem CID 175338289) has the molecular formula C14H17ClFNO6S and a molecular weight of 381.81 g/mol. Its IUPAC name is [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate.

Molecular Properties

Compound Name[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
PubChem CID175338289
Molecular FormulaC14H17ClFNO6S
Molecular Weight381.81 g/mol
Exact Mass381.04
IUPAC Name[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate
SMILESNC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CCF)CCOCC2)c1O
InChIInChI=1S/C14H17ClFNO6S/c15-9-1-2-10(23-13(17)19)11(18)12(9)24(20,21)14(3-6-16)4-7-22-8-5-14/h1-2,18H,3-8H2,(H2,17,19)
InChIKeyNYUTVSODGLKCFR-UHFFFAOYSA-N
XLogP2.19
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The IUPAC name of [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate (CID 175338289) is [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate.
What is the SMILES notation for [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The canonical SMILES for [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate is NC(=O)Oc1ccc(Cl)c(S(=O)(=O)C2(CCF)CCOCC2)c1O.
What is the InChIKey of [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
The InChIKey is NYUTVSODGLKCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFNO6S/c15-9-1-2-10(23-13(17)19)11(18)12(9)24(20,21)14(3-6-16)4-7-22-8-5-14/h1-2,18H,3-8H2,(H2,17,19).
What are the key properties of [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate?
[4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate has a molecular weight of 381.81 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-[4-(2-fluoroethyl)oxan-4-yl]sulfonyl-2-hydroxyphenyl] carbamate is sourced from PubChem (CID 175338289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).