N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

C19H22N2O3S — CID 23770767

IUPACN-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-7-3-2-4-8-16)18-11-9-17(10-12-18)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyVMFSLGMMUBLTOO-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.89
Rot. Bonds5

About N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 23770767) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID23770767
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-7-3-2-4-8-16)18-11-9-17(10-12-18)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3
InChIKeyVMFSLGMMUBLTOO-UHFFFAOYSA-N
XLogP2.89
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 17201100
N-phenyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 1100955
N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 1361405
N-benzyl-N-[4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 67130558
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
4-[benzyl(methylsulfonyl)amino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 2865943
N-benzyl-N-[4-[4-(2-methoxyethyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 68578304
4-[benzyl(methylsulfonyl)amino]-N-(cycloheptylideneamino)benzamide
CID 1107783
N-benzyl-N-phenylmethanesulfonamide;ethane
CID 142134956
N-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 50946897
N-(2-ethoxyphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]methanesulfonamide
CID 53287514

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (CID 23770767) is N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is VMFSLGMMUBLTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-7-3-2-4-8-16)18-11-9-17(10-12-18)19(22)20-13-5-6-14-20/h2-4,7-12H,5-6,13-15H2,1H3.
What are the key properties of N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 23770767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).