N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide

C14H20F2N2O2S — CID 43653555

IUPACN-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESCCNC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-11-4-6-12(7-5-11)18-21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17-18H,2,4-7H2,1H3
InChIKeyJSJRRUTVKYADOI-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.16
Rot. Bonds5

About N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide

N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide (PubChem CID 43653555) has the molecular formula C14H20F2N2O2S and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
PubChem CID43653555
Molecular FormulaC14H20F2N2O2S
Molecular Weight318.39 g/mol
Exact Mass318.12
IUPAC NameN-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
SMILESCCNC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2O2S/c1-2-17-11-4-6-12(7-5-11)18-21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17-18H,2,4-7H2,1H3
InChIKeyJSJRRUTVKYADOI-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(ethylamino)cyclohexyl]-5-fluoro-2-methylbenzenesulfonamide
CID 43653558
4-(2,4-difluorophenyl)-N-[4-(ethylamino)cyclohexyl]benzenesulfonamide
CID 45279055
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
2,5-difluoro-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzenesulfonamide
CID 52767566
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
4-fluoro-N-[4-(propylamino)cyclohexyl]benzenesulfonamide
CID 43653616
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054
3-(cyclopropylsulfamoyl)-4-fluorobenzenesulfonyl chloride
CID 65036561
2-(2,5-difluorophenyl)sulfonyl-N-ethylcyclopentan-1-amine
CID 64645531
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide (CID 43653555) is N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide is CCNC1CCC(NS(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is JSJRRUTVKYADOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2S/c1-2-17-11-4-6-12(7-5-11)18-21(19,20)14-9-10(15)3-8-13(14)16/h3,8-9,11-12,17-18H,2,4-7H2,1H3.
What are the key properties of N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide?
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 318.39 g/mol, XLogP of 2.16, 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]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43653555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).