4-(aminomethyl)-N-cyclohexylbenzenesulfonamide

C13H20N2O2S — CID 16781327

IUPAC4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H20N2O2S/c14-10-11-6-8-13(9-7-11)18(16,17)15-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10,14H2
InChIKeyNBTLOZNVGSLKBF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.76
Rot. Bonds4

About 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide

4-(aminomethyl)-N-cyclohexylbenzenesulfonamide (PubChem CID 16781327) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
PubChem CID16781327
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C13H20N2O2S/c14-10-11-6-8-13(9-7-11)18(16,17)15-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10,14H2
InChIKeyNBTLOZNVGSLKBF-UHFFFAOYSA-N
XLogP1.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
4-(aminomethyl)-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 61222384
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
4-(aminomethyl)-N-(1-ethylpiperidin-3-yl)benzenesulfonamide
CID 61476754
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
4-(1-aminoethyl)-N-cycloheptylbenzenesulfonamide
CID 43167801
4-(3-aminoprop-1-ynyl)-N-cyclopentylbenzenesulfonamide
CID 60844096
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide (CID 16781327) is 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide is NCc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide?
The InChIKey is NBTLOZNVGSLKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c14-10-11-6-8-13(9-7-11)18(16,17)15-12-4-2-1-3-5-12/h6-9,12,15H,1-5,10,14H2.
What are the key properties of 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide?
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclohexylbenzenesulfonamide is sourced from PubChem (CID 16781327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).