3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide

C20H20BrFN4O3S — CID 55950292

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Br)c3)cc2F)n1
InChIInChI=1S/C20H20BrFN4O3S/c1-13-10-14(2)26(25-13)19-7-6-16(12-18(19)22)24-20(27)8-9-23-30(28,29)17-5-3-4-15(21)11-17/h3-7,10-12,23H,8-9H2,1-2H3,(H,24,27)
InChIKeyAXOJGUVVZYLLFT-UHFFFAOYSA-N
MW495.37 g/mol
LogP3.70
Rot. Bonds7

About 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide

3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide (PubChem CID 55950292) has the molecular formula C20H20BrFN4O3S and a molecular weight of 495.37 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
PubChem CID55950292
Molecular FormulaC20H20BrFN4O3S
Molecular Weight495.37 g/mol
Exact Mass494.04
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Br)c3)cc2F)n1
InChIInChI=1S/C20H20BrFN4O3S/c1-13-10-14(2)26(25-13)19-7-6-16(12-18(19)22)24-20(27)8-9-23-30(28,29)17-5-3-4-15(21)11-17/h3-7,10-12,23H,8-9H2,1-2H3,(H,24,27)
InChIKeyAXOJGUVVZYLLFT-UHFFFAOYSA-N
XLogP3.70
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.37
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
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3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
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3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
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N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide
CID 119731551
3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55891636
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119731550
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-indol-1-ylpropanamide
CID 55950802
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
N-(3-acetylphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 34830305

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide (CID 55950292) is 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide is Cc1cc(C)n(-c2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Br)c3)cc2F)n1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
The InChIKey is AXOJGUVVZYLLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4O3S/c1-13-10-14(2)26(25-13)19-7-6-16(12-18(19)22)24-20(27)8-9-23-30(28,29)17-5-3-4-15(21)11-17/h3-7,10-12,23H,8-9H2,1-2H3,(H,24,27).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide has a molecular weight of 495.37 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide is sourced from PubChem (CID 55950292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).