2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide

C14H22N2O2S — CID 64743862

IUPAC2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccccc2S(N)(=O)=O)CC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-12(9-11(10)2)16-13-5-3-4-6-14(13)19(15,17)18/h3-6,10-12,16H,7-9H2,1-2H3,(H2,15,17,18)
InChIKeyTXQXYBWFRZNREV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.57
Rot. Bonds3

About 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide

2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide (PubChem CID 64743862) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
PubChem CID64743862
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide
SMILESCC1CCC(Nc2ccccc2S(N)(=O)=O)CC1C
InChIInChI=1S/C14H22N2O2S/c1-10-7-8-12(9-11(10)2)16-13-5-3-4-6-14(13)19(15,17)18/h3-6,10-12,16H,7-9H2,1-2H3,(H2,15,17,18)
InChIKeyTXQXYBWFRZNREV-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide (CID 64743862) is 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide is CC1CCC(Nc2ccccc2S(N)(=O)=O)CC1C.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is TXQXYBWFRZNREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10-7-8-12(9-11(10)2)16-13-5-3-4-6-14(13)19(15,17)18/h3-6,10-12,16H,7-9H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide?
2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 64743862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).