N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

C14H16BrN3O2S — CID 106062209

IUPACN-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1C
InChIInChI=1S/C14H16BrN3O2S/c1-10-5-6-12(8-11(10)9-16-2)21(19,20)18-14-13(15)4-3-7-17-14/h3-8,16H,9H2,1-2H3,(H,17,18)
InChIKeyMLDGTZMHFQFOCY-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.67
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106062209) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106062209
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1C
InChIInChI=1S/C14H16BrN3O2S/c1-10-5-6-12(8-11(10)9-16-2)21(19,20)18-14-13(15)4-3-7-17-14/h3-8,16H,9H2,1-2H3,(H,17,18)
InChIKeyMLDGTZMHFQFOCY-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

N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122
4-(aminomethyl)-N-(3-bromo-2-pyridinyl)-3-chlorobenzenesulfonamide
CID 106062257
4-methyl-3-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106088073
4-amino-N-(3-bromo-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 82843664
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
3-amino-N-(3-bromo-2-pyridinyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421695
3-(aminomethyl)-N-(3-bromo-2-pyridinyl)-4-chloro-5-fluorobenzenesulfonamide
CID 106062235
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
N-(1-cyclopentylethyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106066098
4-methyl-3-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058312
4-methyl-3-(methylaminomethyl)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331807

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106062209) is N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)Nc2ncccc2Br)ccc1C.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is MLDGTZMHFQFOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-10-5-6-12(8-11(10)9-16-2)21(19,20)18-14-13(15)4-3-7-17-14/h3-8,16H,9H2,1-2H3,(H,17,18).
What are the key properties of N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide 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 N-(3-bromo-2-pyridinyl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106062209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).