N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

C14H15F3N2O2S — CID 2815626

IUPACN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C14H15F3N2O2S/c1-10-3-6-12(19(10)2)9-18-22(20,21)13-7-4-11(5-8-13)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyAJGWLCVEGFBWII-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.83
Rot. Bonds4

About N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide

N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 2815626) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID2815626
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC NameN-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C14H15F3N2O2S/c1-10-3-6-12(19(10)2)9-18-22(20,21)13-7-4-11(5-8-13)14(15,16)17/h3-8,18H,9H2,1-2H3
InChIKeyAJGWLCVEGFBWII-UHFFFAOYSA-N
XLogP2.83
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
1-N-(4-Sulfamoylphenyl-ethyl)-2,4,6-trimethylpyridinium
CID 5289159
1-methyl-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 16233014
4-tert-butyl-N-[(1,5-dimethyl-1H-pyrrol-2-yl)methyl]benzenesulfonamide
CID 672067
N-methyl-1-[5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66924757
1-[5-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 66924777
1-[1-(benzenesulfonyl)-2-methyl-5-phenylpyrrol-3-yl]-N-methylmethanamine
CID 66925141
[1-(4-Methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66925173
1-{5-(4-Fluorophenyl)-1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}-N-methylmethanamine
CID 66925186
N,N-dimethyl-1-[5-phenyl-1-[4-(trifluoromethyl)phenyl]sulfonylpyrrol-3-yl]methanamine
CID 66925262
2-Methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
4-[2-(2,3,4,6-Tetramethylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide perchlorate
CID 10387325

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide (CID 2815626) is N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1C.
What is the InChIKey of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AJGWLCVEGFBWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-10-3-6-12(19(10)2)9-18-22(20,21)13-7-4-11(5-8-13)14(15,16)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 332.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 2815626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).