N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide

C20H17ClF2N2O4S — CID 118180519

IUPACN-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CC(O)C(F)C2)cc2c1C=CC2
InChIInChI=1S/C20H17ClF2N2O4S/c21-16-7-12(4-5-17(16)22)24-20(27)15-8-13(6-11-2-1-3-14(11)15)30(28,29)25-9-18(23)19(26)10-25/h1,3-8,18-19,26H,2,9-10H2,(H,24,27)
InChIKeyJYUYIXLCYZOHIA-UHFFFAOYSA-N
MW454.88 g/mol
LogP3.00
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide

N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide (PubChem CID 118180519) has the molecular formula C20H17ClF2N2O4S and a molecular weight of 454.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide
PubChem CID118180519
Molecular FormulaC20H17ClF2N2O4S
Molecular Weight454.88 g/mol
Exact Mass454.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CC(O)C(F)C2)cc2c1C=CC2
InChIInChI=1S/C20H17ClF2N2O4S/c21-16-7-12(4-5-17(16)22)24-20(27)15-8-13(6-11-2-1-3-14(11)15)30(28,29)25-9-18(23)19(26)10-25/h1,3-8,18-19,26H,2,9-10H2,(H,24,27)
InChIKeyJYUYIXLCYZOHIA-UHFFFAOYSA-N
XLogP3.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411226
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N-(3-chloro-4-fluorophenyl)-3-[(3S,4S)-3-fluoro-4-hydroxyazepan-1-yl]sulfonyl-4-(fluoromethyl)benzamide
CID 118230052
2-chloro-N-(3-chloro-4-fluorophenyl)-5-sulfamoylbenzamide
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2-bromo-N-(3,4-difluorophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
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5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-N-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 4179172
N-(3,4-dimethylphenyl)-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-fluorobenzamide
CID 7032363
2-fluoro-N-(3-fluoro-4-methylphenyl)-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 3673075
N-(3,4-difluorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-2-fluorobenzamide
CID 4115341
N-(3-chloro-4-methylphenyl)-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide (CID 118180519) is N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CC(O)C(F)C2)cc2c1C=CC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide?
The InChIKey is JYUYIXLCYZOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N2O4S/c21-16-7-12(4-5-17(16)22)24-20(27)15-8-13(6-11-2-1-3-14(11)15)30(28,29)25-9-18(23)19(26)10-25/h1,3-8,18-19,26H,2,9-10H2,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide has a molecular weight of 454.88 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-(3-fluoro-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-indene-4-carboxamide is sourced from PubChem (CID 118180519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).