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

C13H18Cl2N2O2S — CID 43257649

IUPAC4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5,16H2,1H3
InChIKeyPBUFHUYEHASZFZ-UHFFFAOYSA-N
MW337.27 g/mol
LogP3.43
Rot. Bonds3

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

4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 43257649) has the molecular formula C13H18Cl2N2O2S and a molecular weight of 337.27 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID43257649
Molecular FormulaC13H18Cl2N2O2S
Molecular Weight337.27 g/mol
Exact Mass336.05
IUPAC Name4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C13H18Cl2N2O2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5,16H2,1H3
InChIKeyPBUFHUYEHASZFZ-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.27
LogP ≤ 53.43
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-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 79588504
4-amino-2,6-dichloro-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64909269
5-amino-3-chloro-2-fluoro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43257648
4-amino-2,6-dichloro-N-(2-ethylcyclohexyl)benzenesulfonamide
CID 61466502
4-amino-2,6-dichloro-N-cyclohexylbenzenesulfonamide
CID 43256833
4-amino-2,6-dichloro-N-cyclopropylbenzenesulfonamide
CID 43256975
2,4,5-trichloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 19681997
6-amino-5-chloro-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 64608315
4,5-dichloro-2-methyl-N-[(1S,2S)-2-methylcyclohexyl]benzenesulfonamide
CID 39116281
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide (CID 43257649) is 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is PBUFHUYEHASZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2S/c1-8-4-2-3-5-12(8)17-20(18,19)13-10(14)6-9(16)7-11(13)15/h6-8,12,17H,2-5,16H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 337.27 g/mol, XLogP of 3.43, 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-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43257649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).