3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide

C13H13BrClN3O2S — CID 106070860

IUPAC3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)ncc1Br
InChIInChI=1S/C13H13BrClN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyYPPQRIGYEUSZPB-UHFFFAOYSA-N
MW390.69 g/mol
LogP3.07
Rot. Bonds4

About 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide

3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide (PubChem CID 106070860) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
PubChem CID106070860
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)ncc1Br
InChIInChI=1S/C13H13BrClN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,6,16H2,1H3,(H,17,18)
InChIKeyYPPQRIGYEUSZPB-UHFFFAOYSA-N
XLogP3.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
N-(5-bromo-4-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 79729132
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
3-(aminomethyl)-N-(2-bromo-3-methylphenyl)-4-chlorobenzenesulfonamide
CID 106073917
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
N-(5-bromo-4-methyl-2-pyridinyl)-3-cyano-4-fluorobenzenesulfonamide
CID 79736144
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylthiophene-2-sulfonamide
CID 106070845
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide (CID 106070860) is 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)c(CN)c2)ncc1Br.
What is the InChIKey of 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
The InChIKey is YPPQRIGYEUSZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c1-8-4-13(17-7-11(8)14)18-21(19,20)10-2-3-12(15)9(5-10)6-16/h2-5,7H,6,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide?
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 106070860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).