N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H19N3O3S — CID 17459230

IUPACN-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c1-13-6-5-9-18-16(13)19-17(21)14-7-4-8-15(12-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21)
InChIKeyUERVYIOKCLDSFL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.43
Rot. Bonds4

About N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide

N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 17459230) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID17459230
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c1-13-6-5-9-18-16(13)19-17(21)14-7-4-8-15(12-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21)
InChIKeyUERVYIOKCLDSFL-UHFFFAOYSA-N
XLogP2.43
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 17459230) is N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1cccnc1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is UERVYIOKCLDSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-6-5-9-18-16(13)19-17(21)14-7-4-8-15(12-14)24(22,23)20-10-2-3-11-20/h4-9,12H,2-3,10-11H2,1H3,(H,18,19,21).
What are the key properties of N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 17459230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).