N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide

C10H17F2NO2S — CID 167808002

IUPACN-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(C)CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2S/c1-3-16(14,15)13-8-9(2)5-4-6-10(11,12)7-9/h3,13H,1,4-8H2,2H3
InChIKeyRPJXHZUDSBKREU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.26
Rot. Bonds4

About N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide

N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide (PubChem CID 167808002) has the molecular formula C10H17F2NO2S and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide
PubChem CID167808002
Molecular FormulaC10H17F2NO2S
Molecular Weight253.31 g/mol
Exact Mass253.09
IUPAC NameN-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1(C)CCCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2S/c1-3-16(14,15)13-8-9(2)5-4-6-10(11,12)7-9/h3,13H,1,4-8H2,2H3
InChIKeyRPJXHZUDSBKREU-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide?
The IUPAC name of N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide (CID 167808002) is N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide.
What is the SMILES notation for N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide?
The canonical SMILES for N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1(C)CCCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide?
The InChIKey is RPJXHZUDSBKREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2S/c1-3-16(14,15)13-8-9(2)5-4-6-10(11,12)7-9/h3,13H,1,4-8H2,2H3.
What are the key properties of N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide?
N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide has a molecular weight of 253.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluoro-1-methylcyclohexyl)methyl]ethenesulfonamide is sourced from PubChem (CID 167808002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).