N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

C18H26N2O3S — CID 2988983

IUPACN-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-14-9-10-16(24(22,23)20-11-5-6-12-20)13-17(14)18(21)19-15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyBYKCXEXJOIMRLH-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.84
Rot. Bonds4

About N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide

N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2988983) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2988983
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC NameN-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C18H26N2O3S/c1-14-9-10-16(24(22,23)20-11-5-6-12-20)13-17(14)18(21)19-15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21)
InChIKeyBYKCXEXJOIMRLH-UHFFFAOYSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 2988983) is N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BYKCXEXJOIMRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-14-9-10-16(24(22,23)20-11-5-6-12-20)13-17(14)18(21)19-15-7-3-2-4-8-15/h9-10,13,15H,2-8,11-12H2,1H3,(H,19,21).
What are the key properties of N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide?
N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 350.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2988983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).