3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide

C15H24N2O3S — CID 43341136

IUPAC3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
SMILESCC1CCC(Oc2ccc(S(=O)(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h8-12H,4-7,16H2,1-3H3
InChIKeyNTJWRWDBFBCVAF-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.48
Rot. Bonds4

About 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide

3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide (PubChem CID 43341136) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
PubChem CID43341136
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide
SMILESCC1CCC(Oc2ccc(S(=O)(=O)N(C)C)cc2N)CC1
InChIInChI=1S/C15H24N2O3S/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h8-12H,4-7,16H2,1-3H3
InChIKeyNTJWRWDBFBCVAF-UHFFFAOYSA-N
XLogP2.48
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-hexadecoxy-N,N-dimethylbenzenesulfonamide
CID 3578870
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
3-amino-4-(4-methoxycyclohexyl)oxy-N-methylbenzenesulfonamide
CID 70648323
3-amino-4-(2-ethoxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 43341134
2-cyclopentyloxy-5-(dimethylsulfamoyl)benzoic acid
CID 61379309
3-amino-4-cycloheptyloxy-N-methylbenzenesulfonamide
CID 61069538
3-amino-N,N-dimethyl-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43162703
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
3-amino-4-(4-bromophenoxy)-N,N-dimethylbenzenesulfonamide
CID 43341127
3-amino-N-methyl-4-(oxan-4-yloxy)benzenesulfonamide
CID 61268267
3-amino-4-(4-methoxypiperidin-1-yl)-N,N-dimethylbenzenesulfonamide
CID 43372899
3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide?
The IUPAC name of 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide (CID 43341136) is 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide.
What is the SMILES notation for 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide?
The canonical SMILES for 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide is CC1CCC(Oc2ccc(S(=O)(=O)N(C)C)cc2N)CC1.
What is the InChIKey of 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide?
The InChIKey is NTJWRWDBFBCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-4-6-12(7-5-11)20-15-9-8-13(10-14(15)16)21(18,19)17(2)3/h8-12H,4-7,16H2,1-3H3.
What are the key properties of 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide?
3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-dimethyl-4-(4-methylcyclohexyl)oxybenzenesulfonamide is sourced from PubChem (CID 43341136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).