N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

C13H23F2NO5S2 — CID 58961922

IUPACN,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)SOOO
InChIInChI=1S/C13H23F2NO5S2/c14-13(15,22-21-20-17)23(18,19)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,17H,1-10H2
InChIKeyUBDORKBRGIDAPF-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.90
Rot. Bonds7

About N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide

N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (PubChem CID 58961922) has the molecular formula C13H23F2NO5S2 and a molecular weight of 375.46 g/mol. Its IUPAC name is N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
PubChem CID58961922
Molecular FormulaC13H23F2NO5S2
Molecular Weight375.46 g/mol
Exact Mass375.10
IUPAC NameN,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide
SMILESO=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)SOOO
InChIInChI=1S/C13H23F2NO5S2/c14-13(15,22-21-20-17)23(18,19)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,17H,1-10H2
InChIKeyUBDORKBRGIDAPF-UHFFFAOYSA-N
XLogP3.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N,N-dicyclohexyl-1,1,1-trifluoromethanesulfonamide
CID 23227871
N,N-dicyclohexyl-1,1-difluoromethanesulfonamide
CID 58435940
N,N-dicyclohexyl-1,1-difluoroethanesulfonamide
CID 58436010
N,N-dicyclohexyl-1,1-difluoro-1-oxidoperoxysulfanylmethanesulfonamide
CID 58961921
Dicyclohexylsulfamoyl(difluoro)methanesulfonic acid
CID 88487529
N,N-dicyclohexyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonamide
CID 126638189
N,N-dicyclohexyl-1-(trioxidanylsulfanyl)methanesulfonamide
CID 59833721
Dicyclohexylsulfamoylmethanesulfonic acid
CID 88487373

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The IUPAC name of N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide (CID 58961922) is N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide.
What is the SMILES notation for N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The canonical SMILES for N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is O=S(=O)(N(C1CCCCC1)C1CCCCC1)C(F)(F)SOOO.
What is the InChIKey of N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
The InChIKey is UBDORKBRGIDAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO5S2/c14-13(15,22-21-20-17)23(18,19)16(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12,17H,1-10H2.
What are the key properties of N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide?
N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide has a molecular weight of 375.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-1,1-difluoro-1-(trioxidanylsulfanyl)methanesulfonamide is sourced from PubChem (CID 58961922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).