4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde

C20H15F2NO3S — CID 178134450

IUPAC4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C20H15F2NO3S/c21-15-4-3-5-16(10-15)27(25,26)23-11-14(12-24)19(13-8-9-13)20(23)17-6-1-2-7-18(17)22/h1-7,10-13H,8-9H2
InChIKeyYYCXDBSKQJAALP-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.36
Rot. Bonds5

About 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde

4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde (PubChem CID 178134450) has the molecular formula C20H15F2NO3S and a molecular weight of 387.41 g/mol. Its IUPAC name is 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
PubChem CID178134450
Molecular FormulaC20H15F2NO3S
Molecular Weight387.41 g/mol
Exact Mass387.07
IUPAC Name4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C20H15F2NO3S/c21-15-4-3-5-16(10-15)27(25,26)23-11-14(12-24)19(13-8-9-13)20(23)17-6-1-2-7-18(17)22/h1-7,10-13H,8-9H2
InChIKeyYYCXDBSKQJAALP-UHFFFAOYSA-N
XLogP4.36
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
4-cyclopropyl-5-[4-(cyclopropylmethoxy)-2-fluorophenyl]-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 178134459
1-(3-fluorophenyl)sulfonyl-4-methoxy-5-(2,4,6-trifluorophenyl)pyrrole-3-carbaldehyde
CID 135353595
[4-cyclopropyl-5-(2-fluorophenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanol
CID 178134549
methyl 4-cyclopropyl-5-(2-fluoro-6-methoxyphenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carboxylate
CID 178134437
1-(3-bromophenyl)sulfonyl-5-(2-fluorophenyl)pyrrole-3-carbaldehyde
CID 166463331
1-(benzenesulfonyl)-5-fluoroindole-3-carbaldehyde
CID 151908022
[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol
CID 177315196
2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrol-4-amine;hydrochloride
CID 177345424
5-(2,4-difluorophenyl)-4-methoxy-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 164883824
3-chloro-2-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 177345436
[3-(2,4-difluorophenyl)-2-(3-fluorophenyl)sulfonyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-methylcarbamic acid
CID 121452042

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde?
The IUPAC name of 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde (CID 178134450) is 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde is O=Cc1cn(S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde?
The InChIKey is YYCXDBSKQJAALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO3S/c21-15-4-3-5-16(10-15)27(25,26)23-11-14(12-24)19(13-8-9-13)20(23)17-6-1-2-7-18(17)22/h1-7,10-13H,8-9H2.
What are the key properties of 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde?
4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde has a molecular weight of 387.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde is sourced from PubChem (CID 178134450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).