5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide

C14H22N2O3S — CID 28717716

IUPAC5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-13-8-7-11(10-15)9-14(13)20(17,18)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3
InChIKeyQVHJBHCLHJSKPK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.76
Rot. Bonds5

About 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide

5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide (PubChem CID 28717716) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
PubChem CID28717716
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide
SMILESCOc1ccc(CN)cc1S(=O)(=O)NC1CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-13-8-7-11(10-15)9-14(13)20(17,18)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3
InChIKeyQVHJBHCLHJSKPK-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methoxy-N-(thian-4-yl)benzenesulfonamide
CID 106084299
N-cyclooctyl-5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 46296321
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)-2-methoxybenzenesulfonamide
CID 106091059
N-cyclohexyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6464098
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
5-(aminomethyl)-2-methoxy-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062917
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-2-methoxybenzenesulfonamide
CID 102704778
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-chloro-N-cycloheptyl-2,5-dimethoxybenzenesulfonamide
CID 2200633
4-(aminomethyl)-N-cyclobutyl-2-fluorobenzenesulfonamide
CID 79190765
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide (CID 28717716) is 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide is COc1ccc(CN)cc1S(=O)(=O)NC1CCCCC1.
What is the InChIKey of 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide?
The InChIKey is QVHJBHCLHJSKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-13-8-7-11(10-15)9-14(13)20(17,18)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3.
What are the key properties of 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide?
5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-cyclohexyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 28717716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).