3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide

C15H16BrClN4O3S — CID 4086584

IUPAC3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C15H16BrClN4O3S/c1-9-2-3-11(7-12(9)17)21-14(22)4-5-20-25(23,24)13-6-10(16)8-19-15(13)18/h2-3,6-8,20H,4-5H2,1H3,(H2,18,19)(H,21,22)
InChIKeyZHVFZSHUOOSFOX-UHFFFAOYSA-N
MW447.74 g/mol
LogP2.70
Rot. Bonds6

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

3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 4086584) 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-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID4086584
Molecular FormulaC15H16BrClN4O3S
Molecular Weight447.74 g/mol
Exact Mass445.98
IUPAC Name3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl
InChIInChI=1S/C15H16BrClN4O3S/c1-9-2-3-11(7-12(9)17)21-14(22)4-5-20-25(23,24)13-6-10(16)8-19-15(13)18/h2-3,6-8,20H,4-5H2,1H3,(H2,18,19)(H,21,22)
InChIKeyZHVFZSHUOOSFOX-UHFFFAOYSA-N
XLogP2.70
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide (CID 4086584) is 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl.
What is the InChIKey of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is ZHVFZSHUOOSFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O3S/c1-9-2-3-11(7-12(9)17)21-14(22)4-5-20-25(23,24)13-6-10(16)8-19-15(13)18/h2-3,6-8,20H,4-5H2,1H3,(H2,18,19)(H,21,22).
What are the key properties of 3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide?
3-[(2-amino-5-bromo-3-pyridinyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 447.74 g/mol, XLogP of 2.70, 6 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-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 4086584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).