2-(3,5-dimethylcyclohexyl)sulfonylaniline

C14H21NO2S — CID 64729332

IUPAC2-(3,5-dimethylcyclohexyl)sulfonylaniline
SMILESCC1CC(C)CC(S(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H21NO2S/c1-10-7-11(2)9-12(8-10)18(16,17)14-6-4-3-5-13(14)15/h3-6,10-12H,7-9,15H2,1-2H3
InChIKeyWAHVRHVKRQEKIM-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.87
Rot. Bonds2

About 2-(3,5-dimethylcyclohexyl)sulfonylaniline

2-(3,5-dimethylcyclohexyl)sulfonylaniline (PubChem CID 64729332) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)sulfonylaniline.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)sulfonylaniline
PubChem CID64729332
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(3,5-dimethylcyclohexyl)sulfonylaniline
SMILESCC1CC(C)CC(S(=O)(=O)c2ccccc2N)C1
InChIInChI=1S/C14H21NO2S/c1-10-7-11(2)9-12(8-10)18(16,17)14-6-4-3-5-13(14)15/h3-6,10-12H,7-9,15H2,1-2H3
InChIKeyWAHVRHVKRQEKIM-UHFFFAOYSA-N
XLogP2.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.87
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

5-chloro-2-(3,5-dimethylcyclohexyl)sulfonylaniline
CID 81175102
2-(3,5-dimethylcyclohexyl)sulfonylbenzoic acid
CID 64736501
2-(3,5-dimethylcyclohexyl)sulfonyl-4-methoxyaniline
CID 81207066
4-(3,5-dimethylcyclohexyl)sulfonyl-3-methoxyaniline
CID 81207202
2-(oxan-4-ylsulfonyl)aniline
CID 63936905
2-(1,1-dioxothiolan-3-yl)sulfonylaniline
CID 61367424
lithium 2-aminobenzenesulfonate
CID 59248314
3-cyclopentylsulfonyl-2-methylaniline
CID 81190403
4-fluoro-2-(3-methylcyclohexyl)sulfonylaniline
CID 81183010
3-amino-2-methyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467078
2-[(3R)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132831
2-[(3S)-3-methylpiperidin-1-yl]sulfonylaniline
CID 1132830

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohexyl)sulfonylaniline?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)sulfonylaniline (CID 64729332) is 2-(3,5-dimethylcyclohexyl)sulfonylaniline.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)sulfonylaniline?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)sulfonylaniline is CC1CC(C)CC(S(=O)(=O)c2ccccc2N)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)sulfonylaniline?
The InChIKey is WAHVRHVKRQEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-10-7-11(2)9-12(8-10)18(16,17)14-6-4-3-5-13(14)15/h3-6,10-12H,7-9,15H2,1-2H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)sulfonylaniline?
2-(3,5-dimethylcyclohexyl)sulfonylaniline has a molecular weight of 267.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)sulfonylaniline is sourced from PubChem (CID 64729332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).