1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide

C14H16BrN3O2S — CID 106070788

IUPAC1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2cccc(CN)c2)ncc1Br
InChIInChI=1S/C14H16BrN3O2S/c1-10-5-14(17-8-13(10)15)18-21(19,20)9-12-4-2-3-11(6-12)7-16/h2-6,8H,7,9,16H2,1H3,(H,17,18)
InChIKeyXRRBNYUYTXWLJR-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.55
Rot. Bonds5

About 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide

1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide (PubChem CID 106070788) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
PubChem CID106070788
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
SMILESCc1cc(NS(=O)(=O)Cc2cccc(CN)c2)ncc1Br
InChIInChI=1S/C14H16BrN3O2S/c1-10-5-14(17-8-13(10)15)18-21(19,20)9-12-4-2-3-11(6-12)7-16/h2-6,8H,7,9,16H2,1H3,(H,17,18)
InChIKeyXRRBNYUYTXWLJR-UHFFFAOYSA-N
XLogP2.55
TPSA85.08 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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 106070814
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 106070858
1-[3-(aminomethyl)phenyl]-N-(3-methyl-2-pyridinyl)methanesulfonamide
CID 60978443
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-methylphenyl)methanesulfonamide
CID 106076529
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
1-[3-(aminomethyl)phenyl]-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116786572
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
1-(3-aminophenyl)-N-(5-bromo-2-pyridinyl)methanesulfonamide
CID 43256634
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide (CID 106070788) is 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide is Cc1cc(NS(=O)(=O)Cc2cccc(CN)c2)ncc1Br.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide?
The InChIKey is XRRBNYUYTXWLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-10-5-14(17-8-13(10)15)18-21(19,20)9-12-4-2-3-11(6-12)7-16/h2-6,8H,7,9,16H2,1H3,(H,17,18).
What are the key properties of 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide?
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide is sourced from PubChem (CID 106070788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).