N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide

C18H16F3N3O3S — CID 4790576

IUPACN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-8-6-12(7-9-13)17(25)23-14-3-1-4-15(11-14)28(26,27)24-16-5-2-10-22-16/h1,3-4,6-9,11H,2,5,10H2,(H,22,24)(H,23,25)
InChIKeyGWSYBJIFSBHZIL-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.43
Rot. Bonds4

About N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 4790576) has the molecular formula C18H16F3N3O3S and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
PubChem CID4790576
Molecular FormulaC18H16F3N3O3S
Molecular Weight411.41 g/mol
Exact Mass411.09
IUPAC NameN-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H16F3N3O3S/c19-18(20,21)13-8-6-12(7-9-13)17(25)23-14-3-1-4-15(11-14)28(26,27)24-16-5-2-10-22-16/h1,3-4,6-9,11H,2,5,10H2,(H,22,24)(H,23,25)
InChIKeyGWSYBJIFSBHZIL-UHFFFAOYSA-N
XLogP3.43
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
4-(dimethylsulfamoyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 24645853
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26846382
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 31528464
2,3-dimethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]quinoxaline-6-carboxamide
CID 24514431
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 25162510
4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3,5-dimethoxybenzamide
CID 17497520
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
4-(difluoromethoxy)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methoxybenzamide
CID 26846700
4-prop-2-enoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 55577334
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
1-(4-acetylphenyl)-3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]thiourea
CID 3602003

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide (CID 4790576) is N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is GWSYBJIFSBHZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3S/c19-18(20,21)13-8-6-12(7-9-13)17(25)23-14-3-1-4-15(11-14)28(26,27)24-16-5-2-10-22-16/h1,3-4,6-9,11H,2,5,10H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide?
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 411.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 4790576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).