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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(3-methylpentan-2-yl)-5-sulfamoylbenzamide
CID 65388219
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 65387640
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
5-[[(2R)-butan-2-yl]sulfamoyl]-2-fluoro-N-(2-methylpyrazol-3-yl)benzamide
CID 90259276
N-(2-ethylbutyl)-2-fluoro-5-sulfamoylbenzamide
CID 115626334
N-(2-fluoro-4-sulfamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 61129598
2-fluoro-N-[(2S)-2-propoxypropyl]-5-sulfamoylbenzamide
CID 97151661
2-fluoro-N-(2-propoxypropyl)-5-sulfamoylbenzamide
CID 72930267

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).