N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide

C15H21N5O3S — CID 119978808

IUPACN-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C15H21N5O3S/c1-19-15(17-11-18-19)10-23-13-3-5-14(6-4-13)24(21,22)20(2)12-7-8-16-9-12/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyREGSJBWNBKLIQN-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.38
Rot. Bonds6

About N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide

N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 119978808) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID119978808
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC NameN-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1
InChIInChI=1S/C15H21N5O3S/c1-19-15(17-11-18-19)10-23-13-3-5-14(6-4-13)24(21,22)20(2)12-7-8-16-9-12/h3-6,11-12,16H,7-10H2,1-2H3
InChIKeyREGSJBWNBKLIQN-UHFFFAOYSA-N
XLogP0.38
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide 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

9-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719502
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974217
N-(azepan-4-yl)-4-ethoxy-N-methylbenzenesulfonamide
CID 107173129
4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974216
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]benzenesulfonamide
CID 119967851
4-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299749
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
N,2-dimethyl-N-pyrrolidin-3-ylpyrazole-3-sulfonamide;hydrochloride
CID 120709852

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide (CID 119978808) is N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1.
What is the InChIKey of N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is REGSJBWNBKLIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-19-15(17-11-18-19)10-23-13-3-5-14(6-4-13)24(21,22)20(2)12-7-8-16-9-12/h3-6,11-12,16H,7-10H2,1-2H3.
What are the key properties of N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide?
N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 119978808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).