[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

C21H19F2N3O3S — CID 24817943

IUPAC[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H19F2N3O3S/c22-18-7-4-8-19(23)20(18)30(28,29)26-13-11-25(12-14-26)21(27)16-5-3-6-17(15-16)24-9-1-2-10-24/h1-10,15H,11-14H2
InChIKeyUXCQNHWAPQVNFA-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.90
Rot. Bonds4

About [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone

[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 24817943) has the molecular formula C21H19F2N3O3S and a molecular weight of 431.46 g/mol. Its IUPAC name is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
PubChem CID24817943
Molecular FormulaC21H19F2N3O3S
Molecular Weight431.46 g/mol
Exact Mass431.11
IUPAC Name[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
SMILESO=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1
InChIInChI=1S/C21H19F2N3O3S/c22-18-7-4-8-19(23)20(18)30(28,29)26-13-11-25(12-14-26)21(27)16-5-3-6-17(15-16)24-9-1-2-10-24/h1-10,15H,11-14H2
InChIKeyUXCQNHWAPQVNFA-UHFFFAOYSA-N
XLogP2.90
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
Piperazine moiety, 6
CID 57339813
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
3-[(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 17617945
4-Methyl-3-((4-methylphenyl)sulfonamido)-N-(pyridin-3-ylmethyl)benzamide
CID 17618132
3-[(4-methylphenyl)sulfamoyl]-N-pyridin-3-ylbenzamide;hydrochloride
CID 25162958
3-[(3R,4R)-1-(1-Benzenesulfonyl-1H-pyrrol-2-ylmethyl)-3,4-dimethyl-piperidin-4-yl]-benzamide
CID 44358923
4-[[(3-methylphenyl)sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 50912990
4-(benzenesulfonamidomethyl)-N-pyridin-3-ylbenzamide
CID 50914609
4-[(4-methylbenzenesulfonamido)methyl]-N-(pyridin-3-yl)benzamide
CID 50914751

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone (CID 24817943) is [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is O=C(c1cccc(-n2cccc2)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1.
What is the InChIKey of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is UXCQNHWAPQVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S/c22-18-7-4-8-19(23)20(18)30(28,29)26-13-11-25(12-14-26)21(27)16-5-3-6-17(15-16)24-9-1-2-10-24/h1-10,15H,11-14H2.
What are the key properties of [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone?
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 431.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 24817943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).