2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

C15H17F2NO5S — CID 11574077

IUPAC2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESO=C(OCCO)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO5S/c16-10-5-6-13(12(17)9-10)18-24(21,22)14-4-2-1-3-11(14)15(20)23-8-7-19/h3,5-6,9,14,18-19H,1-2,4,7-8H2
InChIKeyNFWNASPTWXNOTD-UHFFFAOYSA-N
MW361.37 g/mol
LogP1.72
Rot. Bonds6

About 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate

2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (PubChem CID 11574077) has the molecular formula C15H17F2NO5S and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
PubChem CID11574077
Molecular FormulaC15H17F2NO5S
Molecular Weight361.37 g/mol
Exact Mass361.08
IUPAC Name2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate
SMILESO=C(OCCO)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C15H17F2NO5S/c16-10-5-6-13(12(17)9-10)18-24(21,22)14-4-2-1-3-11(14)15(20)23-8-7-19/h3,5-6,9,14,18-19H,1-2,4,7-8H2
InChIKeyNFWNASPTWXNOTD-UHFFFAOYSA-N
XLogP1.72
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate (CID 11574077) is 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is O=C(OCCO)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
The InChIKey is NFWNASPTWXNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO5S/c16-10-5-6-13(12(17)9-10)18-24(21,22)14-4-2-1-3-11(14)15(20)23-8-7-19/h3,5-6,9,14,18-19H,1-2,4,7-8H2.
What are the key properties of 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate?
2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate has a molecular weight of 361.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 6-[(2,4-difluorophenyl)sulfamoyl]cyclohexene-1-carboxylate is sourced from PubChem (CID 11574077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).