N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide

C12H15F3N2O3S — CID 63298210

IUPACN-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-17(9-6-7-16-8-9)21(18,19)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9,16H,6-8H2,1H3
InChIKeyBFMOPHNMIOJPBU-UHFFFAOYSA-N
MW324.32 g/mol
LogP1.57
Rot. Bonds4

About N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide

N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 63298210) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID63298210
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC NameN-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CCNC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3S/c1-17(9-6-7-16-8-9)21(18,19)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9,16H,6-8H2,1H3
InChIKeyBFMOPHNMIOJPBU-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-chloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298347
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
N-methyl-4-propan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978960
N-methyl-4-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55136438
4-[(dimethylamino)methyl]-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 120875073
N-methyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 44592154
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
N-methyl-N-pyrrolidin-3-yl-3-[4-(trifluoromethoxy)phenyl]propanamide;hydrochloride
CID 119553445
N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978808
6-bromo-N-methyl-N-pyrrolidin-3-ylnaphthalene-2-sulfonamide;hydrochloride
CID 120709882

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide (CID 63298210) is N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide is CN(C1CCNC1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is BFMOPHNMIOJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c1-17(9-6-7-16-8-9)21(18,19)11-4-2-10(3-5-11)20-12(13,14)15/h2-5,9,16H,6-8H2,1H3.
What are the key properties of N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide?
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 324.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 63298210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).