N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide

C19H24N2O2S — CID 59826001

IUPACN-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-20(15-17-7-3-2-4-8-17)24(22,23)19-11-9-18(10-12-19)16-21-13-5-6-14-21/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyHOXZSLITAPMTLB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.10
Rot. Bonds6

About N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide

N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide (PubChem CID 59826001) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
PubChem CID59826001
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C19H24N2O2S/c1-20(15-17-7-3-2-4-8-17)24(22,23)19-11-9-18(10-12-19)16-21-13-5-6-14-21/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyHOXZSLITAPMTLB-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide (CID 59826001) is N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
The InChIKey is HOXZSLITAPMTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-20(15-17-7-3-2-4-8-17)24(22,23)19-11-9-18(10-12-19)16-21-13-5-6-14-21/h2-4,7-12H,5-6,13-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide?
N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(pyrrolidin-1-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 59826001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).