2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole

C19H17F2N3O3S — CID 70257412

IUPAC2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
SMILESCC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(N)(=O)=O)c(F)c1F
InChIInChI=1S/C19H17F2N3O3S/c1-11(13-7-8-15(18(21)17(13)20)24-28(22,26)27)14-9-10-16(23-14)19(25)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H2,22,26,27)
InChIKeyLIENMCUIFDOECR-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.29
Rot. Bonds6

About 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole

2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole (PubChem CID 70257412) has the molecular formula C19H17F2N3O3S and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole.

Molecular Properties

Compound Name2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
PubChem CID70257412
Molecular FormulaC19H17F2N3O3S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole
SMILESCC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(N)(=O)=O)c(F)c1F
InChIInChI=1S/C19H17F2N3O3S/c1-11(13-7-8-15(18(21)17(13)20)24-28(22,26)27)14-9-10-16(23-14)19(25)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H2,22,26,27)
InChIKeyLIENMCUIFDOECR-UHFFFAOYSA-N
XLogP3.29
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(5-benzoyl-1H-pyrrol-2-yl)ethyl]-3-chlorophenyl]methanesulfonamide
CID 23285808
N-[4-[1-[5-(4-bromobenzoyl)-1H-pyrrol-2-yl]ethyl]-3-fluorophenyl]methanesulfonamide
CID 23285798
tris(5-benzoyl-1H-pyrrol-2-yl) methanetricarboxylate
CID 67899517
N-[4-[1-(5-benzoyl-4-methyl-1H-pyrrol-2-yl)ethyl]-3,5-difluorophenyl]-2-hydroxyethanesulfonamide
CID 23285721
5-amino-2-(sulfamoylamino)benzoic acid
CID 114958710
2-fluoro-6-(sulfamoylamino)benzoic acid
CID 114958773
[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
CID 11070775
diphenylmethanone;4-fluoroaniline
CID 174706224
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
methyl benzoate;(sulfamoylamino)benzene
CID 174928336
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
bis(5-benzoyl-1H-pyrrol-2-yl) propanedioate
CID 67899612

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole?
The IUPAC name of 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole (CID 70257412) is 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole.
What is the SMILES notation for 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole?
The canonical SMILES for 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole is CC(c1ccc(C(=O)c2ccccc2)[nH]1)c1ccc(NS(N)(=O)=O)c(F)c1F.
What is the InChIKey of 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole?
The InChIKey is LIENMCUIFDOECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3S/c1-11(13-7-8-15(18(21)17(13)20)24-28(22,26)27)14-9-10-16(23-14)19(25)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H2,22,26,27).
What are the key properties of 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole?
2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole has a molecular weight of 405.43 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-5-[1-[2,3-difluoro-4-(sulfamoylamino)phenyl]ethyl]-1H-pyrrole is sourced from PubChem (CID 70257412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).