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

C14H14BrN3O3S — CID 17192375

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(20,21)17-10-7-14(19)18-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2,(H,16,18,19)
InChIKeyZNYQTJFKVIZTFP-UHFFFAOYSA-N
MW384.26 g/mol
LogP2.15
Rot. Bonds6

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

3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide (PubChem CID 17192375) has the molecular formula C14H14BrN3O3S and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
PubChem CID17192375
Molecular FormulaC14H14BrN3O3S
Molecular Weight384.26 g/mol
Exact Mass382.99
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccncc1
InChIInChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(20,21)17-10-7-14(19)18-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2,(H,16,18,19)
InChIKeyZNYQTJFKVIZTFP-UHFFFAOYSA-N
XLogP2.15
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methoxyphenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192611
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
3-[(4-bromophenyl)sulfonylamino]-N-(2,3-dichlorophenyl)propanamide
CID 17192422
N-(4-bromophenyl)-3-[4-(ethylsulfamoyl)phenyl]propanamide
CID 3466870
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide (CID 17192375) is 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1ccncc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide?
The InChIKey is ZNYQTJFKVIZTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3S/c15-11-1-3-13(4-2-11)22(20,21)17-10-7-14(19)18-12-5-8-16-9-6-12/h1-6,8-9,17H,7,10H2,(H,16,18,19).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide has a molecular weight of 384.26 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 17192375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).