N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C17H24N2O3S — CID 17465764

IUPACN-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCC1
InChIInChI=1S/C17H24N2O3S/c1-18(15-8-2-3-9-15)17(20)14-7-6-10-16(13-14)23(21,22)19-11-4-5-12-19/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3
InChIKeyPLZGMWNKXNPMCX-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.49
Rot. Bonds4

About N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 17465764) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID17465764
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCC1
InChIInChI=1S/C17H24N2O3S/c1-18(15-8-2-3-9-15)17(20)14-7-6-10-16(13-14)23(21,22)19-11-4-5-12-19/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3
InChIKeyPLZGMWNKXNPMCX-UHFFFAOYSA-N
XLogP2.49
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 60604552
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7260123
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
N-cyclopentyl-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
CID 52568346
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-cyclopentyl-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 134059774
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
N-cyclopentyl-N-[2-(4-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 78853789
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 17465764) is N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is PLZGMWNKXNPMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-18(15-8-2-3-9-15)17(20)14-7-6-10-16(13-14)23(21,22)19-11-4-5-12-19/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17465764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).