N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide

C18H26N2O3S — CID 2326615

IUPACN-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-19(16-9-3-2-4-10-16)18(21)15-8-7-11-17(14-15)24(22,23)20-12-5-6-13-20/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3
InChIKeyLXWGOTCBIPFJBT-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.88
Rot. Bonds4

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

N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2326615) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2326615
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-19(16-9-3-2-4-10-16)18(21)15-8-7-11-17(14-15)24(22,23)20-12-5-6-13-20/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3
InChIKeyLXWGOTCBIPFJBT-UHFFFAOYSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2326615) is N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is CN(C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LXWGOTCBIPFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-19(16-9-3-2-4-10-16)18(21)15-8-7-11-17(14-15)24(22,23)20-12-5-6-13-20/h7-8,11,14,16H,2-6,9-10,12-13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 350.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2326615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).