4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide

C14H20Cl2N2O2S — CID 61466502

IUPAC4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-11(15)7-10(17)8-12(14)16/h7-9,13,18H,2-6,17H2,1H3
InChIKeyJPQBFPQHGMOYRR-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.82
Rot. Bonds4

About 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide (PubChem CID 61466502) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
PubChem CID61466502
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
SMILESCCC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-11(15)7-10(17)8-12(14)16/h7-9,13,18H,2-6,17H2,1H3
InChIKeyJPQBFPQHGMOYRR-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.82
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

4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
3-amino-N-(2-ethylcyclohexyl)-2,6-dimethylbenzenesulfonamide
CID 61466577
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
5-amino-N-(2-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 61466373
2-amino-N-(2-ethylcyclohexyl)pyrimidine-5-sulfonamide
CID 62153641
2-chloro-N-(2-ethylcyclohexyl)pyridine-4-sulfonamide
CID 61051433
3-amino-N-(2-ethylcyclohexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358704
N-(2-ethylcyclohexyl)-4-ethylsulfonylbenzenesulfonamide
CID 60530988
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide (CID 61466502) is 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide is CCC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide?
The InChIKey is JPQBFPQHGMOYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-2-9-5-3-4-6-13(9)18-21(19,20)14-11(15)7-10(17)8-12(14)16/h7-9,13,18H,2-6,17H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61466502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).