N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide

C18H23F3N2O4S — CID 140761427

IUPACN-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide
SMILESO=C(NS(=O)(=O)N(F)C(OCC1CCCC(F)(F)C1)C1CC1)c1ccccc1
InChIInChI=1S/C18H23F3N2O4S/c19-18(20)10-4-5-13(11-18)12-27-17(15-8-9-15)23(21)28(25,26)22-16(24)14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,22,24)
InChIKeyGTFLFUWDTMKENA-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.43
Rot. Bonds8

About N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide

N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide (PubChem CID 140761427) has the molecular formula C18H23F3N2O4S and a molecular weight of 420.45 g/mol. Its IUPAC name is N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide.

Molecular Properties

Compound NameN-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide
PubChem CID140761427
Molecular FormulaC18H23F3N2O4S
Molecular Weight420.45 g/mol
Exact Mass420.13
IUPAC NameN-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide
SMILESO=C(NS(=O)(=O)N(F)C(OCC1CCCC(F)(F)C1)C1CC1)c1ccccc1
InChIInChI=1S/C18H23F3N2O4S/c19-18(20)10-4-5-13(11-18)12-27-17(15-8-9-15)23(21)28(25,26)22-16(24)14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,22,24)
InChIKeyGTFLFUWDTMKENA-UHFFFAOYSA-N
XLogP3.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide?
The IUPAC name of N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide (CID 140761427) is N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide.
What is the SMILES notation for N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide?
The canonical SMILES for N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide is O=C(NS(=O)(=O)N(F)C(OCC1CCCC(F)(F)C1)C1CC1)c1ccccc1.
What is the InChIKey of N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide?
The InChIKey is GTFLFUWDTMKENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O4S/c19-18(20)10-4-5-13(11-18)12-27-17(15-8-9-15)23(21)28(25,26)22-16(24)14-6-2-1-3-7-14/h1-3,6-7,13,15,17H,4-5,8-12H2,(H,22,24).
What are the key properties of N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide?
N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide has a molecular weight of 420.45 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[cyclopropyl-[(3,3-difluorocyclohexyl)methoxy]methyl]-fluorosulfamoyl]benzamide is sourced from PubChem (CID 140761427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).