N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide

C14H22N2O3S — CID 61453809

IUPACN-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-14-9-12(15)7-8-13(14)16-20(17,18)10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyXHQSDFNVCAKHKU-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.60
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide

N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 61453809) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
PubChem CID61453809
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
SMILESCOc1cc(N)ccc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H22N2O3S/c1-19-14-9-12(15)7-8-13(14)16-20(17,18)10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3
InChIKeyXHQSDFNVCAKHKU-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
N-(2-amino-4-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453682
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
4-(cyclohexylmethylsulfonyl)-3-methoxyaniline
CID 81206561
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
N-(4-amino-2-methoxyphenyl)piperidine-1-sulfonamide
CID 28783407
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
N-(3-amino-2,4-dimethylphenyl)-1-cyclopropylmethanesulfonamide
CID 64988981
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 64987778
N-(4-amino-2-methoxyphenyl)propane-2-sulfonamide
CID 60859602
N-(4-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941385

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide (CID 61453809) is N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide is COc1cc(N)ccc1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is XHQSDFNVCAKHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-19-14-9-12(15)7-8-13(14)16-20(17,18)10-11-5-3-2-4-6-11/h7-9,11,16H,2-6,10,15H2,1H3.
What are the key properties of N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide?
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 61453809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).