3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide

C19H17BrN4O3S — CID 134009303

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H17BrN4O3S/c20-15-6-8-17(9-7-15)28(26,27)23-11-10-18(25)24-16-12-21-19(22-13-16)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,24,25)
InChIKeyRFGDXSZDACNLHC-UHFFFAOYSA-N
MW461.34 g/mol
LogP3.21
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide (PubChem CID 134009303) has the molecular formula C19H17BrN4O3S and a molecular weight of 461.34 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
PubChem CID134009303
Molecular FormulaC19H17BrN4O3S
Molecular Weight461.34 g/mol
Exact Mass460.02
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C19H17BrN4O3S/c20-15-6-8-17(9-7-15)28(26,27)23-11-10-18(25)24-16-12-21-19(22-13-16)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,24,25)
InChIKeyRFGDXSZDACNLHC-UHFFFAOYSA-N
XLogP3.21
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
3-[(4-bromophenyl)sulfonylamino]-N-pyridin-4-ylpropanamide
CID 17192375
3-(benzenesulfonamido)-N-quinolin-3-ylpropanamide
CID 52553671
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-bromophenyl)sulfonylamino]-N-(3-methoxyphenyl)propanamide
CID 17192407
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56519883
3-[(4-bromophenyl)sulfonylamino]-N-(2-cyanophenyl)propanamide
CID 17192424
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215
N-(4-anilinophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 46554404
3-[(4-bromophenyl)sulfonylamino]-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 26644643
3-[(4-tert-butylphenyl)sulfonylamino]-N-quinolin-3-ylpropanamide
CID 29330631

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide (CID 134009303) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide is O=C(CCNS(=O)(=O)c1ccc(Br)cc1)Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide?
The InChIKey is RFGDXSZDACNLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O3S/c20-15-6-8-17(9-7-15)28(26,27)23-11-10-18(25)24-16-12-21-19(22-13-16)14-4-2-1-3-5-14/h1-9,12-13,23H,10-11H2,(H,24,25).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide has a molecular weight of 461.34 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 134009303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).