5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide

C20H20FN3O3S — CID 6623969

IUPAC5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20FN3O3S/c1-13-18(12-19(24-13)15-4-6-16(21)7-5-15)20(25)23-11-10-14-2-8-17(9-3-14)28(22,26)27/h2-9,12,24H,10-11H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyJLDXQLGVTCVDEL-UHFFFAOYSA-N
MW401.46 g/mol
LogP2.75
Rot. Bonds6

About 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide

5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 6623969) has the molecular formula C20H20FN3O3S and a molecular weight of 401.46 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID6623969
Molecular FormulaC20H20FN3O3S
Molecular Weight401.46 g/mol
Exact Mass401.12
IUPAC Name5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20FN3O3S/c1-13-18(12-19(24-13)15-4-6-16(21)7-5-15)20(25)23-11-10-14-2-8-17(9-3-14)28(22,26)27/h2-9,12,24H,10-11H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyJLDXQLGVTCVDEL-UHFFFAOYSA-N
XLogP2.75
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
5-fluoro-2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 45493285
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
1-(4-fluorophenyl)-5-propan-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 31900966
6-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 39965104
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 1247099
2-methyl-5-sulfamoyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 24672657
1-[(4-fluorophenyl)methyl]-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111233396
(2R)-2-(4-fluorophenyl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 8740673
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 46920467
5-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
CID 9402339

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide (CID 6623969) is 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is JLDXQLGVTCVDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3S/c1-13-18(12-19(24-13)15-4-6-16(21)7-5-15)20(25)23-11-10-14-2-8-17(9-3-14)28(22,26)27/h2-9,12,24H,10-11H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide?
5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 401.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 6623969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).