N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide

C16H26N2O2S — CID 61064761

IUPACN-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
SMILESCCNC(C)c1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-13(2)14-8-7-9-15(12-14)18-21(19,20)16-10-5-4-6-11-16/h7-9,12-13,16-18H,3-6,10-11H2,1-2H3
InChIKeyQNPAJVCMYOSRMJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.43
Rot. Bonds6

About N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide

N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide (PubChem CID 61064761) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
PubChem CID61064761
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
SMILESCCNC(C)c1cccc(NS(=O)(=O)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O2S/c1-3-17-13(2)14-8-7-9-15(12-14)18-21(19,20)16-10-5-4-6-11-16/h7-9,12-13,16-18H,3-6,10-11H2,1-2H3
InChIKeyQNPAJVCMYOSRMJ-UHFFFAOYSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
CID 64553467
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
CID 62047895
N-[3-[1-(ethylamino)ethyl]phenyl]-1-methylpyrazole-4-sulfonamide
CID 62063494
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
[3-[3-(cyclohexylsulfonylamino)phenyl]-3-hydroxypropyl]carbamic acid
CID 67296705
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
1-(3-cyclohexylsulfanylphenyl)-N-ethylethanamine
CID 64666325
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide?
The IUPAC name of N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide (CID 61064761) is N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide?
The canonical SMILES for N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide is CCNC(C)c1cccc(NS(=O)(=O)C2CCCCC2)c1.
What is the InChIKey of N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide?
The InChIKey is QNPAJVCMYOSRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-17-13(2)14-8-7-9-15(12-14)18-21(19,20)16-10-5-4-6-11-16/h7-9,12-13,16-18H,3-6,10-11H2,1-2H3.
What are the key properties of N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide?
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide has a molecular weight of 310.46 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide is sourced from PubChem (CID 61064761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).