N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide

C22H19FN2O2S — CID 170977011

IUPACN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H19FN2O2S/c1-15-13-16-7-2-5-12-21(16)25(15)22(26)17-8-6-9-18(14-17)28(27)24-20-11-4-3-10-19(20)23/h2-12,14-15,24H,13H2,1H3
InChIKeyWCWNVYXMIHDFGI-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.55
Rot. Bonds4

About N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide

N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide (PubChem CID 170977011) has the molecular formula C22H19FN2O2S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide
PubChem CID170977011
Molecular FormulaC22H19FN2O2S
Molecular Weight394.47 g/mol
Exact Mass394.12
IUPAC NameN-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)Nc2ccccc2F)c1
InChIInChI=1S/C22H19FN2O2S/c1-15-13-16-7-2-5-12-21(16)25(15)22(26)17-8-6-9-18(14-17)28(27)24-20-11-4-3-10-19(20)23/h2-12,14-15,24H,13H2,1H3
InChIKeyWCWNVYXMIHDFGI-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109054646
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
[3-(dimethylamino)phenyl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176454
N-(2-cyanophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057792
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108954785
[2-(2-fluoroanilino)-6-methylpyrimidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109336761
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109055314
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide?
The IUPAC name of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide (CID 170977011) is N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide is CC1Cc2ccccc2N1C(=O)c1cccc(S(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide?
The InChIKey is WCWNVYXMIHDFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2S/c1-15-13-16-7-2-5-12-21(16)25(15)22(26)17-8-6-9-18(14-17)28(27)24-20-11-4-3-10-19(20)23/h2-12,14-15,24H,13H2,1H3.
What are the key properties of N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide?
N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide has a molecular weight of 394.47 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfinamide is sourced from PubChem (CID 170977011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).