5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide

C12H18BrN3O2S — CID 97318384

IUPAC5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
SMILESCN1CC[C@H](CN(C)S(=O)(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-15-6-5-10(8-15)9-16(2)19(17,18)12-4-3-11(13)7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyGWXJEARWSCORQC-JTQLQIEISA-N
MW348.27 g/mol
LogP1.42
Rot. Bonds4

About 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide

5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide (PubChem CID 97318384) has the molecular formula C12H18BrN3O2S and a molecular weight of 348.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
PubChem CID97318384
Molecular FormulaC12H18BrN3O2S
Molecular Weight348.27 g/mol
Exact Mass347.03
IUPAC Name5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide
SMILESCN1CC[C@H](CN(C)S(=O)(=O)c2ccc(Br)cn2)C1
InChIInChI=1S/C12H18BrN3O2S/c1-15-6-5-10(8-15)9-16(2)19(17,18)12-4-3-11(13)7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyGWXJEARWSCORQC-JTQLQIEISA-N
XLogP1.42
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine-2-sulfonamide
CID 97217875
N-methyl-6-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 63274885
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693004
N,2-dimethyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]benzenesulfonamide
CID 118549662
N-methyl-3-(methylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-sulfonamide
CID 103305951
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-propylpyrazole-3-sulfonamide
CID 131935320
2-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-sulfonamide
CID 63275008
2-bromo-4,6-difluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63274882
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 63275642
6-bromo-N-(cyclopropylmethyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 126841464
3-amino-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63275930
4-amino-3-fluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 82843657

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide (CID 97318384) is 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide is CN1CC[C@H](CN(C)S(=O)(=O)c2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide?
The InChIKey is GWXJEARWSCORQC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18BrN3O2S/c1-15-6-5-10(8-15)9-16(2)19(17,18)12-4-3-11(13)7-14-12/h3-4,7,10H,5-6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide?
5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide has a molecular weight of 348.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 97318384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).