3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide

C14H16BrN3O2S — CID 133373833

IUPAC3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ncc(Br)cc2C)c1
InChIInChI=1S/C14H16BrN3O2S/c1-10-6-12(15)9-18-14(10)17-8-11-4-3-5-13(7-11)21(19,20)16-2/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyIVKMBCUSUGGHLN-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.67
Rot. Bonds5

About 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide

3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 133373833) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
PubChem CID133373833
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2ncc(Br)cc2C)c1
InChIInChI=1S/C14H16BrN3O2S/c1-10-6-12(15)9-18-14(10)17-8-11-4-3-5-13(7-11)21(19,20)16-2/h3-7,9,16H,8H2,1-2H3,(H,17,18)
InChIKeyIVKMBCUSUGGHLN-UHFFFAOYSA-N
XLogP2.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
4-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133374157
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
3-[(3-bromo-4-methylphenyl)methylamino]-N-methylbenzenesulfonamide
CID 105401205
3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133303380
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
3-[(2-bromo-4-nitroanilino)methyl]-N-methylbenzenesulfonamide
CID 133310845

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide (CID 133373833) is 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(CNc2ncc(Br)cc2C)c1.
What is the InChIKey of 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is IVKMBCUSUGGHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-10-6-12(15)9-18-14(10)17-8-11-4-3-5-13(7-11)21(19,20)16-2/h3-7,9,16H,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide?
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133373833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).