4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide

C12H16Cl2N2O2S — CID 43256833

IUPAC4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-6-8(15)7-11(14)12(10)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2
InChIKeyWJEONTHYUJZZTE-UHFFFAOYSA-N
MW323.25 g/mol
LogP3.19
Rot. Bonds3

About 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide

4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide (PubChem CID 43256833) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
PubChem CID43256833
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)c(Cl)c1
InChIInChI=1S/C12H16Cl2N2O2S/c13-10-6-8(15)7-11(14)12(10)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2
InChIKeyWJEONTHYUJZZTE-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 53.19
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-cyclopropylbenzenesulfonamide
CID 43256975
4-bromo-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 60640000
4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257649
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
3-amino-N-cyclohexyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325491
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-tert-butyl-N-cycloheptyl-2,6-dimethylbenzenesulfonamide
CID 7938165
5-amino-N-cyclooctyl-3-fluoro-2-methylbenzenesulfonamide
CID 79898896
4-amino-2,6-dichloro-N-(2-cyclopropyl-2-hydroxyethyl)benzenesulfonamide
CID 63294574

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide (CID 43256833) is 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
The InChIKey is WJEONTHYUJZZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-10-6-8(15)7-11(14)12(10)19(17,18)16-9-4-2-1-3-5-9/h6-7,9,16H,1-5,15H2.
What are the key properties of 4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide?
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 3.19, 3 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-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 43256833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).