2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide

C14H14BrN3O4S — CID 22004279

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide
SMILESO=C(NO)C(Cc1cccnc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O4S/c15-11-3-5-12(6-4-11)23(21,22)18-13(14(19)17-20)8-10-2-1-7-16-9-10/h1-7,9,13,18,20H,8H2,(H,17,19)
InChIKeyUNYMUWDPXVVICO-UHFFFAOYSA-N
MW400.25 g/mol
LogP1.24
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide

2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide (PubChem CID 22004279) has the molecular formula C14H14BrN3O4S and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide
PubChem CID22004279
Molecular FormulaC14H14BrN3O4S
Molecular Weight400.25 g/mol
Exact Mass398.99
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide
SMILESO=C(NO)C(Cc1cccnc1)NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O4S/c15-11-3-5-12(6-4-11)23(21,22)18-13(14(19)17-20)8-10-2-1-7-16-9-10/h1-7,9,13,18,20H,8H2,(H,17,19)
InChIKeyUNYMUWDPXVVICO-UHFFFAOYSA-N
XLogP1.24
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-hydroxy-2-[(4-phenoxyphenyl)sulfonylamino]-3-pyridin-3-ylpropanamide
CID 10216362
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
4-bromo-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 3288066
(2R)-N-hydroxy-3-phenyl-2-[(4-propoxyphenyl)sulfonylamino]propanamide
CID 86624467
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-phenylpropanamide
CID 94861743
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 92645898
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylcyclohexyl)-3-phenylpropanamide
CID 25044437
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenyl-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 94864304
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 24538493

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide (CID 22004279) is 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide is O=C(NO)C(Cc1cccnc1)NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide?
The InChIKey is UNYMUWDPXVVICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O4S/c15-11-3-5-12(6-4-11)23(21,22)18-13(14(19)17-20)8-10-2-1-7-16-9-10/h1-7,9,13,18,20H,8H2,(H,17,19).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide?
2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide has a molecular weight of 400.25 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-hydroxy-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 22004279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).