N-pyrrolidin-3-ylpyridine-3-sulfonamide

C9H13N3O2S — CID 62380285

IUPACN-pyrrolidin-3-ylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccnc1
InChIInChI=1S/C9H13N3O2S/c13-15(14,9-2-1-4-10-7-9)12-8-3-5-11-6-8/h1-2,4,7-8,11-12H,3,5-6H2
InChIKeyCLQJWPTUSLMUAH-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.28
Rot. Bonds3

About N-pyrrolidin-3-ylpyridine-3-sulfonamide

N-pyrrolidin-3-ylpyridine-3-sulfonamide (PubChem CID 62380285) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-pyrrolidin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylpyridine-3-sulfonamide
PubChem CID62380285
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-pyrrolidin-3-ylpyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCNC1)c1cccnc1
InChIInChI=1S/C9H13N3O2S/c13-15(14,9-2-1-4-10-7-9)12-8-3-5-11-6-8/h1-2,4,7-8,11-12H,3,5-6H2
InChIKeyCLQJWPTUSLMUAH-UHFFFAOYSA-N
XLogP-0.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
N-(6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 63662802
5-(pyridin-3-ylsulfonylamino)piperidine-3-carboxylic acid
CID 69069584
N-(3-aminocyclobutyl)pyridine-3-sulfonamide
CID 43597835
3-fluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685503
3-chloro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685888
9-pyridin-3-ylsulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719570
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588
N-pyrrolidin-3-yl-1,2-oxazole-4-sulfonamide
CID 130747992
N-(4-cyanocyclohexyl)pyridine-3-sulfonamide
CID 116816994
N-(3-methylcyclohexyl)pyridine-3-sulfonamide
CID 47331340
N-(1-methyl-6-oxopiperidin-3-yl)pyridine-3-sulfonamide
CID 131898317

Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylpyridine-3-sulfonamide?
The IUPAC name of N-pyrrolidin-3-ylpyridine-3-sulfonamide (CID 62380285) is N-pyrrolidin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for N-pyrrolidin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for N-pyrrolidin-3-ylpyridine-3-sulfonamide is O=S(=O)(NC1CCNC1)c1cccnc1.
What is the InChIKey of N-pyrrolidin-3-ylpyridine-3-sulfonamide?
The InChIKey is CLQJWPTUSLMUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-15(14,9-2-1-4-10-7-9)12-8-3-5-11-6-8/h1-2,4,7-8,11-12H,3,5-6H2.
What are the key properties of N-pyrrolidin-3-ylpyridine-3-sulfonamide?
N-pyrrolidin-3-ylpyridine-3-sulfonamide has a molecular weight of 227.29 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 62380285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).