N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O3S — CID 1331917

IUPACN-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3S/c1-15-9-10-17(19(22)20-14-16-7-3-2-4-8-16)13-18(15)25(23,24)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyMCMBLZTUZZGZPD-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.71
Rot. Bonds5

About N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1331917) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1331917
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H22N2O3S/c1-15-9-10-17(19(22)20-14-16-7-3-2-4-8-16)13-18(15)25(23,24)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22)
InChIKeyMCMBLZTUZZGZPD-UHFFFAOYSA-N
XLogP2.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1379220
N-benzyl-4-methyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 50875478
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453
N-(2-benzylsulfanylethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18271711
4-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17484073
4-methyl-N-phenylmethoxy-3-piperidin-1-ylsulfonylbenzamide
CID 9227291
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-(3-phenylpropyl)benzamide
CID 99968757
4-methyl-3-piperidin-1-ylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021031
N-hexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8886322

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 1331917) is N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(C(=O)NCc2ccccc2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is MCMBLZTUZZGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-15-9-10-17(19(22)20-14-16-7-3-2-4-8-16)13-18(15)25(23,24)21-11-5-6-12-21/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H,20,22).
What are the key properties of N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1331917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).