5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide

C10H14BrN3O2S — CID 107423348

IUPAC5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cncc(Br)c2)CCNC1
InChIInChI=1S/C10H14BrN3O2S/c1-10(2-3-12-7-10)14-17(15,16)9-4-8(11)5-13-6-9/h4-6,12,14H,2-3,7H2,1H3
InChIKeyKJCLCDWXHIIFBM-UHFFFAOYSA-N
MW320.21 g/mol
LogP0.87
Rot. Bonds3

About 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide

5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide (PubChem CID 107423348) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
PubChem CID107423348
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide
SMILESCC1(NS(=O)(=O)c2cncc(Br)c2)CCNC1
InChIInChI=1S/C10H14BrN3O2S/c1-10(2-3-12-7-10)14-17(15,16)9-4-8(11)5-13-6-9/h4-6,12,14H,2-3,7H2,1H3
InChIKeyKJCLCDWXHIIFBM-UHFFFAOYSA-N
XLogP0.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
CID 63889394
4-ethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423198
5-bromo-N-methylpyridine-3-sulfonamide
CID 46738979
2-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 107423383
methyl 4-[(3-methylpyrrolidin-3-yl)sulfamoyl]benzoate
CID 107423157
3-acetyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423148
2,3,4,5,6-pentamethyl-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423252
4-ethoxy-N-(3-methylpyrrolidin-3-yl)benzenesulfonamide
CID 107423356
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
5-bromo-3-chloro-N-(3-methylpyrrolidin-3-yl)pyridin-2-amine
CID 107425693
4,5-dimethyl-N-(3-methylpyrrolidin-3-yl)-2-nitrobenzenesulfonamide
CID 107423141
3-bromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634617

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide (CID 107423348) is 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide is CC1(NS(=O)(=O)c2cncc(Br)c2)CCNC1.
What is the InChIKey of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide?
The InChIKey is KJCLCDWXHIIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-10(2-3-12-7-10)14-17(15,16)9-4-8(11)5-13-6-9/h4-6,12,14H,2-3,7H2,1H3.
What are the key properties of 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide?
5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide has a molecular weight of 320.21 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylpyrrolidin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 107423348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).