5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C19H18FN3O3S — CID 45493285

IUPAC5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2-n2cccc2)cc1
InChIInChI=1S/C19H18FN3O3S/c20-15-5-8-18(23-11-1-2-12-23)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)27(21,25)26/h1-8,11-13H,9-10H2,(H,22,24)(H2,21,25,26)
InChIKeyIDHMERYHAKQFDM-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.24
Rot. Bonds6

About 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 45493285) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID45493285
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2-n2cccc2)cc1
InChIInChI=1S/C19H18FN3O3S/c20-15-5-8-18(23-11-1-2-12-23)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)27(21,25)26/h1-8,11-13H,9-10H2,(H,22,24)(H2,21,25,26)
InChIKeyIDHMERYHAKQFDM-UHFFFAOYSA-N
XLogP2.24
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 27538652
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
CID 6623969
6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 39965104
5-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9402339
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-(2,4-difluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 9046240
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2,4-difluorobenzoate
CID 2103334
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 110688566
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 31900966
4,5-dimethyl-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 9362533
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 45493285) is 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2-n2cccc2)cc1.
What is the InChIKey of 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is IDHMERYHAKQFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-15-5-8-18(23-11-1-2-12-23)17(13-15)19(24)22-10-9-14-3-6-16(7-4-14)27(21,25)26/h1-8,11-13H,9-10H2,(H,22,24)(H2,21,25,26).
What are the key properties of 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 45493285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).