N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H18BrN3O2S — CID 79730231

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCNC(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-8(2)13-4-5-18(16,17)15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyAEXAOFQOHZXSLV-UHFFFAOYSA-N
MW336.26 g/mol
LogP1.89
Rot. Bonds6

About N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 79730231) has the molecular formula C11H18BrN3O2S and a molecular weight of 336.26 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID79730231
Molecular FormulaC11H18BrN3O2S
Molecular Weight336.26 g/mol
Exact Mass335.03
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCNC(C)C)ncc1Br
InChIInChI=1S/C11H18BrN3O2S/c1-8(2)13-4-5-18(16,17)15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyAEXAOFQOHZXSLV-UHFFFAOYSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide 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

N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 79734413
methyl 4-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]butanoate
CID 79734705
N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54971985
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883
N-(6-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54973693
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
1-[3-(aminomethyl)phenyl]-N-(5-bromo-4-methyl-2-pyridinyl)methanesulfonamide
CID 106070788
N-[2-[(5-bromo-4-methyl-2-pyridinyl)oxy]ethyl]propan-2-amine
CID 114869808
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 79730231) is N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is Cc1cc(NS(=O)(=O)CCNC(C)C)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is AEXAOFQOHZXSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O2S/c1-8(2)13-4-5-18(16,17)15-11-6-9(3)10(12)7-14-11/h6-8,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 336.26 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 79730231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).