4-cyclohexylsulfonyl-3-methylaniline

C13H19NO2S — CID 81193220

IUPAC4-cyclohexylsulfonyl-3-methylaniline
SMILESCc1cc(N)ccc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h7-9,12H,2-6,14H2,1H3
InChIKeyFWDKSOAUZIREJC-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.68
Rot. Bonds2

About 4-cyclohexylsulfonyl-3-methylaniline

4-cyclohexylsulfonyl-3-methylaniline (PubChem CID 81193220) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-cyclohexylsulfonyl-3-methylaniline.

Molecular Properties

Compound Name4-cyclohexylsulfonyl-3-methylaniline
PubChem CID81193220
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-cyclohexylsulfonyl-3-methylaniline
SMILESCc1cc(N)ccc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C13H19NO2S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h7-9,12H,2-6,14H2,1H3
InChIKeyFWDKSOAUZIREJC-UHFFFAOYSA-N
XLogP2.68
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.68
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

4-cyclopentylsulfonyl-3-methoxyaniline
CID 81207041
2-cycloheptylsulfonyl-6-methylaniline
CID 82935936
4-methyl-3-(3-methylcyclohexyl)sulfonylaniline
CID 81190873
5-chloro-2-cycloheptylsulfonylaniline
CID 82935028
3-cyclopentylsulfonyl-2-methylaniline
CID 81190403
5-bromo-2-cyclopentylsulfonylaniline
CID 81185345
4-amino-N-[2-(hydroxymethyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 106358885
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498
4-amino-2-methyl-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172811
4-(2,4-dimethylphenyl)sulfonylcyclohexan-1-one
CID 117037250
N-(4-amino-2-methylphenyl)-2-cyclohexylsulfonylacetamide
CID 60886370
4-amino-2-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014134

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfonyl-3-methylaniline?
The IUPAC name of 4-cyclohexylsulfonyl-3-methylaniline (CID 81193220) is 4-cyclohexylsulfonyl-3-methylaniline.
What is the SMILES notation for 4-cyclohexylsulfonyl-3-methylaniline?
The canonical SMILES for 4-cyclohexylsulfonyl-3-methylaniline is Cc1cc(N)ccc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfonyl-3-methylaniline?
The InChIKey is FWDKSOAUZIREJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-10-9-11(14)7-8-13(10)17(15,16)12-5-3-2-4-6-12/h7-9,12H,2-6,14H2,1H3.
What are the key properties of 4-cyclohexylsulfonyl-3-methylaniline?
4-cyclohexylsulfonyl-3-methylaniline has a molecular weight of 253.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfonyl-3-methylaniline is sourced from PubChem (CID 81193220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).