N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide

C14H22N2O2S — CID 61065811

IUPACN-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)C2CCCCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-2-11-8-9-12(10-14(11)15)16-19(17,18)13-6-4-3-5-7-13/h8-10,13,16H,2-7,15H2,1H3
InChIKeyMPULGONGKPQVMJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.91
Rot. Bonds4

About N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide

N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide (PubChem CID 61065811) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
PubChem CID61065811
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3-amino-4-ethylphenyl)cyclohexanesulfonamide
SMILESCCc1ccc(NS(=O)(=O)C2CCCCC2)cc1N
InChIInChI=1S/C14H22N2O2S/c1-2-11-8-9-12(10-14(11)15)16-19(17,18)13-6-4-3-5-7-13/h8-10,13,16H,2-7,15H2,1H3
InChIKeyMPULGONGKPQVMJ-UHFFFAOYSA-N
XLogP2.91
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)cyclopentanesulfonamide
CID 105360531
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
N-[4-(methylamino)phenyl]cyclohexanesulfonamide
CID 61064598
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
N-(3-amino-4-ethylphenyl)-4-methylpiperidine-1-sulfonamide
CID 43551097
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
2-[3-(cyclohexylsulfonylamino)phenyl]acetic acid
CID 65345488
N-(3-amino-4-ethylphenyl)-2-cyclohexylacetamide
CID 43550224
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]cyclohexanesulfonamide
CID 63334192
3-amino-N-cycloheptyl-4-ethylbenzenesulfonamide
CID 43258911
N-(2-amino-6-methylphenyl)cyclohexanesulfonamide
CID 61065471
N-(2-amino-4-methylphenyl)cyclopentanesulfonamide
CID 105360548

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide (CID 61065811) is N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide is CCc1ccc(NS(=O)(=O)C2CCCCC2)cc1N.
What is the InChIKey of N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide?
The InChIKey is MPULGONGKPQVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-11-8-9-12(10-14(11)15)16-19(17,18)13-6-4-3-5-7-13/h8-10,13,16H,2-7,15H2,1H3.
What are the key properties of N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide?
N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)cyclohexanesulfonamide is sourced from PubChem (CID 61065811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).