3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide

C15H16BrClN4O3S — CID 4086585

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN4O3S/c16-11-7-13(15(18)20-9-11)25(23,24)21-6-5-14(22)19-8-10-1-3-12(17)4-2-10/h1-4,7,9,21H,5-6,8H2,(H2,18,20)(H,19,22)
InChIKeyANIZQQMEBVHORJ-UHFFFAOYSA-N
MW447.74 g/mol
LogP2.06
Rot. Bonds7

About 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 4086585) has the molecular formula C15H16BrClN4O3S and a molecular weight of 447.74 g/mol. Its IUPAC name is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID4086585
Molecular FormulaC15H16BrClN4O3S
Molecular Weight447.74 g/mol
Exact Mass445.98
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H16BrClN4O3S/c16-11-7-13(15(18)20-9-11)25(23,24)21-6-5-14(22)19-8-10-1-3-12(17)4-2-10/h1-4,7,9,21H,5-6,8H2,(H2,18,20)(H,19,22)
InChIKeyANIZQQMEBVHORJ-UHFFFAOYSA-N
XLogP2.06
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide 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

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-propylpropanamide
CID 46272034
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 46272049
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(2-ethoxyphenyl)propanamide
CID 46272055
3-[2-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83114587
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689
2-amino-5-bromo-N-(3-phenylpropyl)pyridine-3-sulfonamide
CID 62146514
N-[(4-chlorophenyl)methyl]-3-(thiophen-2-ylsulfonylamino)propanamide
CID 15997579
N-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192707
2-amino-5-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]pyridine-3-sulfonamide
CID 46272050
2-amino-5-bromo-N-[2-(diethylamino)ethyl]pyridine-3-sulfonamide
CID 22515875
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
2-amino-5-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64525350

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide (CID 4086585) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide is Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is ANIZQQMEBVHORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O3S/c16-11-7-13(15(18)20-9-11)25(23,24)21-6-5-14(22)19-8-10-1-3-12(17)4-2-10/h1-4,7,9,21H,5-6,8H2,(H2,18,20)(H,19,22).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 447.74 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 4086585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).