N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 79113666

IUPACN-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3
InChIKeyCYSATXPKCZRXFL-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.25
Rot. Bonds4

About N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide

N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide (PubChem CID 79113666) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
PubChem CID79113666
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide
SMILESCCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3
InChIKeyCYSATXPKCZRXFL-UHFFFAOYSA-N
XLogP2.25
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide (CID 79113666) is N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide is CCN(C1CCC(N)CC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide?
The InChIKey is CYSATXPKCZRXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-18(11-5-3-10(17)4-6-11)21(19,20)12-7-8-13(15)14(16)9-12/h7-11H,2-6,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide?
N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 79113666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).