4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide

C14H22N2O3S — CID 82901248

IUPAC4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OC2CCCCC2C)c1
InChIInChI=1S/C14H22N2O3S/c1-10-5-3-4-6-13(10)19-14-9-11(7-8-12(14)15)20(17,18)16-2/h7-10,13,16H,3-6,15H2,1-2H3
InChIKeyRPSDJILTJNVMOG-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.13
Rot. Bonds4

About 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide

4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide (PubChem CID 82901248) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
PubChem CID82901248
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N)c(OC2CCCCC2C)c1
InChIInChI=1S/C14H22N2O3S/c1-10-5-3-4-6-13(10)19-14-9-11(7-8-12(14)15)20(17,18)16-2/h7-10,13,16H,3-6,15H2,1-2H3
InChIKeyRPSDJILTJNVMOG-UHFFFAOYSA-N
XLogP2.13
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.13
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

4-amino-3-(cyclohexylmethoxy)-N-methylbenzenesulfonamide
CID 82901614
4-amino-3-(3-ethylcyclohexyl)oxy-N-methylbenzenesulfonamide
CID 82903502
4-amino-3-(cyclopropylmethoxy)-N-methylbenzenesulfonamide
CID 82900892
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
4-amino-3-cyclohexylsulfanyl-N-methylbenzenesulfonamide
CID 82901051
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
4-amino-3-[(3,4-dimethylcyclohexyl)amino]-N-methylbenzenesulfonamide
CID 82901713
4-amino-N-ethyl-3-(3-methylcyclohexyl)oxybenzenesulfonamide
CID 82903335
4-amino-N-methyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82898673
3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
CID 70648323

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide (CID 82901248) is 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide is CNS(=O)(=O)c1ccc(N)c(OC2CCCCC2C)c1.
What is the InChIKey of 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is RPSDJILTJNVMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-5-3-4-6-13(10)19-14-9-11(7-8-12(14)15)20(17,18)16-2/h7-10,13,16H,3-6,15H2,1-2H3.
What are the key properties of 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide?
4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-(2-methylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 82901248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).