N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

C25H24FN3O4S — CID 55731562

IUPACN-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H24FN3O4S/c26-22-10-5-19(17-24(22)34(31,32)28-13-15-33-16-14-28)25(30)27-20-6-8-21(9-7-20)29-12-11-18-3-1-2-4-23(18)29/h1-10,17H,11-16H2,(H,27,30)
InChIKeyTXQKQUFIGGFJQR-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide

N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55731562) has the molecular formula C25H24FN3O4S and a molecular weight of 481.55 g/mol. Its IUPAC name is N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55731562
Molecular FormulaC25H24FN3O4S
Molecular Weight481.55 g/mol
Exact Mass481.15
IUPAC NameN-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(N2CCc3ccccc32)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C25H24FN3O4S/c26-22-10-5-19(17-24(22)34(31,32)28-13-15-33-16-14-28)25(30)27-20-6-8-21(9-7-20)29-12-11-18-3-1-2-4-23(18)29/h1-10,17H,11-16H2,(H,27,30)
InChIKeyTXQKQUFIGGFJQR-UHFFFAOYSA-N
XLogP3.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
2,3-dihydroindol-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2334784
5,6-dihydrobenzo[b][1]benzazepin-11-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 3620795
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
N-[4-(2,3-dihydroindol-1-yl)phenyl]-3-fluorobenzamide
CID 112986182
N-(2,6-diethylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2161635
N-(2-ethylsulfonylphenyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55613673
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzamide
CID 55537140
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 23958771
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-[2,6-di(propan-2-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 2669419

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide (CID 55731562) is N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccc(N2CCc3ccccc32)cc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is TXQKQUFIGGFJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O4S/c26-22-10-5-19(17-24(22)34(31,32)28-13-15-33-16-14-28)25(30)27-20-6-8-21(9-7-20)29-12-11-18-3-1-2-4-23(18)29/h1-10,17H,11-16H2,(H,27,30).
What are the key properties of N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide?
N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 481.55 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,3-dihydroindol-1-yl)phenyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).