2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

C19H24N2O2S — CID 110640329

IUPAC2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-8-9-16(2)19(12-15)24(22,23)20-13-17-10-11-21(14-17)18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13-14H2,1-2H3
InChIKeyODGHXBLRPZRRNF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.11
Rot. Bonds5

About 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide

2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 110640329) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID110640329
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC2CCN(c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O2S/c1-15-8-9-16(2)19(12-15)24(22,23)20-13-17-10-11-21(14-17)18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13-14H2,1-2H3
InChIKeyODGHXBLRPZRRNF-UHFFFAOYSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640333
4-fluoro-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110413676
2,5-dimethyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 40911833
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
2,5-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887555
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,5-dimethylbenzenesulfonamide
CID 16887727
4-ethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110640330
2,5-dimethyl-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888133
1-(2-methylphenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413827
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667
4-fluoro-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640404

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide (CID 110640329) is 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC2CCN(c3ccccc3)C2)c1.
What is the InChIKey of 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is ODGHXBLRPZRRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-15-8-9-16(2)19(12-15)24(22,23)20-13-17-10-11-21(14-17)18-6-4-3-5-7-18/h3-9,12,17,20H,10-11,13-14H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide?
2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110640329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).