3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide

C14H22N2O4S — CID 70648323

IUPAC3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCC(OC)CC2)c(N)c1
InChIInChI=1S/C14H22N2O4S/c1-16-21(17,18)12-7-8-14(13(15)9-12)20-11-5-3-10(19-2)4-6-11/h7-11,16H,3-6,15H2,1-2H3
InChIKeyOWUNHVWTBGKXHN-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.51
Rot. Bonds5

About 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide

3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide (PubChem CID 70648323) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
PubChem CID70648323
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(OC2CCC(OC)CC2)c(N)c1
InChIInChI=1S/C14H22N2O4S/c1-16-21(17,18)12-7-8-14(13(15)9-12)20-11-5-3-10(19-2)4-6-11/h7-11,16H,3-6,15H2,1-2H3
InChIKeyOWUNHVWTBGKXHN-UHFFFAOYSA-N
XLogP1.51
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
3-amino-4-(3-methoxypropoxy)-N-methylbenzenesulfonamide
CID 54936668
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
CID 43341136
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
3-amino-4-butoxy-N-methylbenzenesulfonamide
CID 43449328
3-amino-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbenzenesulfonamide
CID 104559947
4-amino-3-(3-methoxypiperidin-1-yl)-N-methylbenzenesulfonamide
CID 102955794
3-amino-N-methyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43382810
3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
CID 82901248
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide?
The IUPAC name of 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide (CID 70648323) is 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(OC2CCC(OC)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide?
The InChIKey is OWUNHVWTBGKXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-16-21(17,18)12-7-8-14(13(15)9-12)20-11-5-3-10(19-2)4-6-11/h7-11,16H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide?
3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide has a molecular weight of 314.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 70648323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).