N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide

C23H19FN2O3S — CID 58975171

IUPACN-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
SMILESCc1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12
InChIInChI=1S/C23H19FN2O3S/c1-16-15-26(22-5-3-2-4-21(16)22)30(28,29)20-12-8-18(9-13-20)23(27)25-14-17-6-10-19(24)11-7-17/h2-13,15H,14H2,1H3,(H,25,27)
InChIKeyZDZKPUOIMWVPIP-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.26
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide

N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide (PubChem CID 58975171) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
PubChem CID58975171
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide
SMILESCc1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12
InChIInChI=1S/C23H19FN2O3S/c1-16-15-26(22-5-3-2-4-21(16)22)30(28,29)20-12-8-18(9-13-20)23(27)25-14-17-6-10-19(24)11-7-17/h2-13,15H,14H2,1H3,(H,25,27)
InChIKeyZDZKPUOIMWVPIP-UHFFFAOYSA-N
XLogP4.26
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetylindol-1-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 58975029
N-[(4-fluorophenyl)methyl]-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]sulfonylbenzamide
CID 58975028
N,N-dimethyl-4-[[[4-(3-phenylindol-1-yl)sulfonylbenzoyl]amino]methyl]benzamide
CID 58975151
4-[[[1-(benzenesulfonyl)indole-3-carbonyl]amino]methyl]benzoic acid
CID 174661053
4-fluoro-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 759573
N-(1,2-dihydropyridazin-3-ylmethyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58855813
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
4-(2,3-dihydroindol-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 58975118
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 4810896
N-(2-methylbutyl)-4-(3-phenylindol-1-yl)sulfonylbenzamide
CID 58975055
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
4-(benzenesulfonamido)-N-[(4-fluorophenyl)methyl]-3-methylbenzamide
CID 30391889

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide (CID 58975171) is N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide is Cc1cn(S(=O)(=O)c2ccc(C(=O)NCc3ccc(F)cc3)cc2)c2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide?
The InChIKey is ZDZKPUOIMWVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-16-15-26(22-5-3-2-4-21(16)22)30(28,29)20-12-8-18(9-13-20)23(27)25-14-17-6-10-19(24)11-7-17/h2-13,15H,14H2,1H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide?
N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide has a molecular weight of 422.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-methylindol-1-yl)sulfonylbenzamide is sourced from PubChem (CID 58975171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).