N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 43653550

IUPACN-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCCNC1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-2-12-7-3-5-8(6-4-7)13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3
InChIKeyBQQZRLJFJXHXSI-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.05
Rot. Bonds5

About N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide

N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide (PubChem CID 43653550) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide
PubChem CID43653550
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide
SMILESCCNC1CCC(NS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C9H18F2N2O2S/c1-2-12-7-3-5-8(6-4-7)13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3
InChIKeyBQQZRLJFJXHXSI-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide (CID 43653550) is N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide is CCNC1CCC(NS(=O)(=O)C(F)F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide?
The InChIKey is BQQZRLJFJXHXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c1-2-12-7-3-5-8(6-4-7)13-16(14,15)9(10)11/h7-9,12-13H,2-6H2,1H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide?
N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)cyclohexyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43653550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).