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

C14H20Cl2N2O2S — CID 63402311

IUPAC2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-11(16)7-10(15)8-12(14)17/h7-9,13H,3-6,17H2,1-2H3
InChIKeyYXRNMGJAEUABGA-UHFFFAOYSA-N
MW351.30 g/mol
LogP3.77
Rot. Bonds3

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

2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 63402311) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID63402311
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-11(16)7-10(15)8-12(14)17/h7-9,13H,3-6,17H2,1-2H3
InChIKeyYXRNMGJAEUABGA-UHFFFAOYSA-N
XLogP3.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dichloro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43255890
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985515
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
3-amino-5-fluoro-N,4-dimethyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 116791589
2-amino-N-butan-2-yl-4,6-dichloro-N-methylbenzenesulfonamide
CID 43272464
2-amino-N-methyl-N-(2-methylcyclohexyl)pyrimidine-5-sulfonamide
CID 62159050
2-amino-4,6-dichloro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271650
2-amino-4,6-dichloro-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 43587535
2-amino-4,6-dichloro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 63982210
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-4-sulfonamide
CID 61046115
5-amino-2-ethyl-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide
CID 61113686
2-amino-4,6-dichloro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61114749

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide (CID 63402311) is 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1N(C)S(=O)(=O)c1c(N)cc(Cl)cc1Cl.
What is the InChIKey of 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is YXRNMGJAEUABGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2S/c1-9-5-3-4-6-13(9)18(2)21(19,20)14-11(16)7-10(15)8-12(14)17/h7-9,13H,3-6,17H2,1-2H3.
What are the key properties of 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide?
2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 351.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dichloro-N-methyl-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 63402311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).