N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

C19H22N2O3S — CID 1361405

IUPACN-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)19(22)20-13-7-8-14-20/h2-6,9-12H,7-8,13-15H2,1H3
InChIKeyBNIGUNCGYYEWCH-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.89
Rot. Bonds5

About N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide

N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 1361405) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID1361405
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)19(22)20-13-7-8-14-20/h2-6,9-12H,7-8,13-15H2,1H3
InChIKeyBNIGUNCGYYEWCH-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-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
2-[benzyl(methylsulfonyl)amino]-N-phenylbenzamide
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2-[benzyl(methylsulfonyl)amino]-N-cyclopropylbenzamide
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2-[benzyl(methylsulfonyl)amino]-N-cyclohexyl-N-methylbenzamide
CID 46778449
N-benzyl-N-[2-(4-ethylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]methanesulfonamide
CID 30151155
2-[benzyl(methylsulfonyl)amino]-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1202343
2-[benzyl(methylsulfonyl)amino]-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6732970
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)benzamide
CID 1106259
2-[benzyl(methylsulfonyl)amino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46771335
2-[benzyl(methylsulfonyl)amino]-N-(2-ethoxyphenyl)benzamide
CID 1107753
N-(3-acetylphenyl)-2-[benzyl(methylsulfonyl)amino]benzamide
CID 1361093
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide (CID 1361405) is N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N1CCCC1.
What is the InChIKey of N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is BNIGUNCGYYEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-25(23,24)21(15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)19(22)20-13-7-8-14-20/h2-6,9-12H,7-8,13-15H2,1H3.
What are the key properties of N-benzyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide?
N-benzyl-N-[2-(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-[2-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 1361405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).