N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide

C13H19NO3S — CID 47304826

IUPACN-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C2CC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-8-13(10(2)7-12(9)17-4)18(15,16)14(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyWEFKSUPJKGPGOX-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.09
Rot. Bonds4

About N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide

N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide (PubChem CID 47304826) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
PubChem CID47304826
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)N(C)C2CC2)cc1C
InChIInChI=1S/C13H19NO3S/c1-9-8-13(10(2)7-12(9)17-4)18(15,16)14(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3
InChIKeyWEFKSUPJKGPGOX-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide 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

4-methoxy-N,2,5-trimethyl-N-propylbenzenesulfonamide
CID 7574310
N-[4-[cyclopropyl-(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 113095161
N-(2-aminoethyl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 28707568
N-[2-[cyclopropyl(methylsulfonyl)amino]ethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113065184
N-(1-aminopropan-2-yl)-4-methoxy-N,2,5-trimethylbenzenesulfonamide
CID 119982633
4-methoxy-2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119976561
2-methoxy-N,N,4,5-tetramethylbenzenesulfonamide
CID 6471319
4-methoxy-N,2,5-trimethyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 110753463
4-methoxy-N,2,3,6-tetramethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 3845128
4-bromo-N,2,5-trimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965599
N-cyclohexyl-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 47314932
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 125054327

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide (CID 47304826) is N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)N(C)C2CC2)cc1C.
What is the InChIKey of N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is WEFKSUPJKGPGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9-8-13(10(2)7-12(9)17-4)18(15,16)14(3)11-5-6-11/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide?
N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 47304826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).