N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide

C14H16BrN3O2S — CID 62150157

IUPACN-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2S/c1-2-16-14-8-7-13(10-17-14)21(19,20)18-9-11-3-5-12(15)6-4-11/h3-8,10,18H,2,9H2,1H3,(H,16,17)
InChIKeyZDEUQNZSZYGNMI-UHFFFAOYSA-N
MW370.27 g/mol
LogP2.75
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide

N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62150157) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID62150157
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H16BrN3O2S/c1-2-16-14-8-7-13(10-17-14)21(19,20)18-9-11-3-5-12(15)6-4-11/h3-8,10,18H,2,9H2,1H3,(H,16,17)
InChIKeyZDEUQNZSZYGNMI-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide 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

6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-benzyl-6-(propylamino)pyridine-3-sulfonamide
CID 62148374
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 106049801
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
N-(2,2-dimethylbutyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 103464350
6-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 62640395
6-(ethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-sulfonamide
CID 63296118
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
N-[(4-bromophenyl)methyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150502

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide (CID 62150157) is N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cn1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is ZDEUQNZSZYGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-2-16-14-8-7-13(10-17-14)21(19,20)18-9-11-3-5-12(15)6-4-11/h3-8,10,18H,2,9H2,1H3,(H,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide?
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62150157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).