2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide

C14H17FN4O4S — CID 97138029

IUPAC2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
SMILESCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccnn1C
InChIInChI=1S/C14H17FN4O4S/c1-19-13(5-6-17-19)12(8-23-2)18-14(20)10-7-9(24(16,21)22)3-4-11(10)15/h3-7,12H,8H2,1-2H3,(H,18,20)(H2,16,21,22)/t12-/m0/s1
InChIKeyZCFQMXJXBQXBDB-LBPRGKRZSA-N
MW356.38 g/mol
LogP0.32
Rot. Bonds6

About 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide

2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 97138029) has the molecular formula C14H17FN4O4S and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID97138029
Molecular FormulaC14H17FN4O4S
Molecular Weight356.38 g/mol
Exact Mass356.10
IUPAC Name2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide
SMILESCOC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccnn1C
InChIInChI=1S/C14H17FN4O4S/c1-19-13(5-6-17-19)12(8-23-2)18-14(20)10-7-9(24(16,21)22)3-4-11(10)15/h3-7,12H,8H2,1-2H3,(H,18,20)(H2,16,21,22)/t12-/m0/s1
InChIKeyZCFQMXJXBQXBDB-LBPRGKRZSA-N
XLogP0.32
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide (CID 97138029) is 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide is COC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1F)c1ccnn1C.
What is the InChIKey of 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is ZCFQMXJXBQXBDB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17FN4O4S/c1-19-13(5-6-17-19)12(8-23-2)18-14(20)10-7-9(24(16,21)22)3-4-11(10)15/h3-7,12H,8H2,1-2H3,(H,18,20)(H2,16,21,22)/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide?
2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 356.38 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 97138029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).