N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide

C17H17FN3O3S+ — CID 7986670

IUPACN-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-13-8-6-12(7-9-13)17(22)20-14-3-1-4-15(11-14)25(23,24)21-16-5-2-10-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,19,21)(H,20,22)/p+1
InChIKeyPTGYDMNOOLRKEC-UHFFFAOYSA-O
MW362.41 g/mol
LogP0.63
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide

N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide (PubChem CID 7986670) has the molecular formula C17H17FN3O3S+ and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide
PubChem CID7986670
Molecular FormulaC17H17FN3O3S+
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O3S/c18-13-8-6-12(7-9-13)17(22)20-14-3-1-4-15(11-14)25(23,24)21-16-5-2-10-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,19,21)(H,20,22)/p+1
InChIKeyPTGYDMNOOLRKEC-UHFFFAOYSA-O
XLogP0.63
TPSA89.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide 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

1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-phenylurea
CID 9452295
4-fluoro-N-[3-(methylsulfamoyl)phenyl]benzamide
CID 60755899
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 8603434
N-(4-fluorophenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 26594001
N-(4-fluorophenyl)-3-[(4-iodophenyl)sulfamoyl]benzamide
CID 1337540
N-(3-benzamidophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869973
N-(1,3-benzodioxol-5-yl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9313924
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
4-acetamido-N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]benzamide
CID 26592920
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide (CID 7986670) is N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide is O=C(Nc1cccc(S(=O)(=O)NC2=[NH+]CCC2)c1)c1ccc(F)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide?
The InChIKey is PTGYDMNOOLRKEC-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16FN3O3S/c18-13-8-6-12(7-9-13)17(22)20-14-3-1-4-15(11-14)25(23,24)21-16-5-2-10-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,19,21)(H,20,22)/p+1.
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide?
N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide has a molecular weight of 362.41 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 7986670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).