N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide

C17H19N3O3S — CID 143428101

IUPACN-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide
SMILESCOc1cncc(NS(=O)c2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c1-23-14-10-13(11-18-12-14)19-24(22)16-7-3-2-6-15(16)17(21)20-8-4-5-9-20/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyYDQTYLMASJGGHL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.46
Rot. Bonds5

About N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide

N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide (PubChem CID 143428101) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide.

Molecular Properties

Compound NameN-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide
PubChem CID143428101
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide
SMILESCOc1cncc(NS(=O)c2ccccc2C(=O)N2CCCC2)c1
InChIInChI=1S/C17H19N3O3S/c1-23-14-10-13(11-18-12-14)19-24(22)16-7-3-2-6-15(16)17(21)20-8-4-5-9-20/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyYDQTYLMASJGGHL-UHFFFAOYSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidine-1-carbonyl)-N-(5-methoxy-3-pyridinyl)benzenesulfonamide
CID 58924081
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473
methyl 2-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109241271
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
5-methoxy-N-pyrrolidin-1-ylpyridin-3-amine
CID 54544915
(3S)-1-(2-chlorobenzoyl)-N-(3,5-dimethoxyphenyl)piperidine-3-carboxamide
CID 94082311
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110798465
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
(2-chloro-5-methoxyphenyl)-piperidin-1-ylmethanone
CID 164894070
[5-amino-2-(3-methoxyanilino)phenyl]-pyrrolidin-1-ylmethanone
CID 100648504

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide?
The IUPAC name of N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide (CID 143428101) is N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide.
What is the SMILES notation for N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide?
The canonical SMILES for N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide is COc1cncc(NS(=O)c2ccccc2C(=O)N2CCCC2)c1.
What is the InChIKey of N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide?
The InChIKey is YDQTYLMASJGGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-23-14-10-13(11-18-12-14)19-24(22)16-7-3-2-6-15(16)17(21)20-8-4-5-9-20/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3.
What are the key properties of N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide?
N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide has a molecular weight of 345.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-3-pyridinyl)-2-(pyrrolidine-1-carbonyl)benzenesulfinamide is sourced from PubChem (CID 143428101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).