N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide

C15H24N2O3S — CID 129461731

IUPACN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)c(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-8-17(4)9-13(10)16-21(18,19)15-7-6-14(20-5)11(2)12(15)3/h6-7,10,13,16H,8-9H2,1-5H3/t10-,13+/m1/s1
InChIKeyFYQQGXQNMFIZJO-MFKMUULPSA-N
MW312.44 g/mol
LogP1.54
Rot. Bonds4

About N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide

N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 129461731) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID129461731
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)c(C)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-8-17(4)9-13(10)16-21(18,19)15-7-6-14(20-5)11(2)12(15)3/h6-7,10,13,16H,8-9H2,1-5H3/t10-,13+/m1/s1
InChIKeyFYQQGXQNMFIZJO-MFKMUULPSA-N
XLogP1.54
TPSA58.64 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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide 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

N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-3-methylbenzenesulfonamide
CID 129461919
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 125057999
N-cyclohexyl-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 2234313
N-(1,4-dimethylpyrrolidin-3-yl)-8-methylquinoline-5-sulfonamide
CID 167781078
4-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 3154510
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
N-cycloheptyl-2,4-dimethoxy-3-methylbenzenesulfonamide
CID 110758716
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-5-fluoro-2-methoxybenzenesulfonamide
CID 91922811
N-(2,6-dimethylphenyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 99490430
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
N-[2-(dimethylamino)ethyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 95969876
4-methoxy-2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 100710078

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 129461731) is N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)c(C)c1C.
What is the InChIKey of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is FYQQGXQNMFIZJO-MFKMUULPSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-8-17(4)9-13(10)16-21(18,19)15-7-6-14(20-5)11(2)12(15)3/h6-7,10,13,16H,8-9H2,1-5H3/t10-,13+/m1/s1.
What are the key properties of N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,4-dimethylpyrrolidin-3-yl]-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 129461731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).