4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide

C20H19FN4O4S — CID 55537140

IUPAC4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O4S/c21-17-7-6-15(14-18(17)30(27,28)24-10-12-29-13-11-24)20(26)22-19-8-9-25(23-19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,26)
InChIKeyLBICWVLRTSIFNK-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.28
Rot. Bonds5

About 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide

4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide (PubChem CID 55537140) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
PubChem CID55537140
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
SMILESO=C(Nc1ccn(-c2ccccc2)n1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C20H19FN4O4S/c21-17-7-6-15(14-18(17)30(27,28)24-10-12-29-13-11-24)20(26)22-19-8-9-25(23-19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,26)
InChIKeyLBICWVLRTSIFNK-UHFFFAOYSA-N
XLogP2.28
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-phenylpyrazol-3-yl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 55547682
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2334782
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(2-ethoxyphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2302190
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55731562
N'-(4-tert-butylbenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 24634964
4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 27243385
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55528339

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide (CID 55537140) is 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide is O=C(Nc1ccn(-c2ccccc2)n1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
The InChIKey is LBICWVLRTSIFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-17-7-6-15(14-18(17)30(27,28)24-10-12-29-13-11-24)20(26)22-19-8-9-25(23-19)16-4-2-1-3-5-16/h1-9,14H,10-13H2,(H,22,23,26).
What are the key properties of 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide?
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide has a molecular weight of 430.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide is sourced from PubChem (CID 55537140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).