N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide

C18H26N2O3S — CID 2330678

IUPACN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-19(16-7-3-2-4-8-16)18(21)15-9-11-17(12-10-15)24(22,23)20-13-5-6-14-20/h9-12,16H,2-8,13-14H2,1H3
InChIKeyKCAQTEHXERURFA-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.88
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide

N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2330678) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2330678
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-19(16-7-3-2-4-8-16)18(21)15-9-11-17(12-10-15)24(22,23)20-13-5-6-14-20/h9-12,16H,2-8,13-14H2,1H3
InChIKeyKCAQTEHXERURFA-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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2330678) is N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide is CN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KCAQTEHXERURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-19(16-7-3-2-4-8-16)18(21)15-9-11-17(12-10-15)24(22,23)20-13-5-6-14-20/h9-12,16H,2-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclohexyl-N-methyl-4-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-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2330678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).