5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide

C19H18FN3O3S — CID 110623482

IUPAC5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H18FN3O3S/c1-11-18(15-10-13(20)3-5-16(15)21-11)19(24)22-14-4-6-17-12(9-14)7-8-23(17)27(2,25)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)
InChIKeyLXYWQTYMISQYQY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.19
Rot. Bonds3

About 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide

5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide (PubChem CID 110623482) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
PubChem CID110623482
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C19H18FN3O3S/c1-11-18(15-10-13(20)3-5-16(15)21-11)19(24)22-14-4-6-17-12(9-14)7-8-23(17)27(2,25)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24)
InChIKeyLXYWQTYMISQYQY-UHFFFAOYSA-N
XLogP3.19
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
3,4-difluoro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506190
1-(3-fluoro-4-methylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389850
N-(3-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 2987467
2,6-difluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 7657910
1-methylsulfonyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2,3-dihydroindole-5-carboxamide
CID 27160936
1-(3,4-dimethylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389828
2,6-difluoro-N-[1-(4-fluorophenyl)sulfonyl-2,3-dihydroindol-5-yl]benzamide
CID 122190171
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
1-(3-methylsulfanylphenyl)-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)urea
CID 46389806
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
CID 110613684

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide (CID 110623482) is 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide?
The InChIKey is LXYWQTYMISQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-11-18(15-10-13(20)3-5-16(15)21-11)19(24)22-14-4-6-17-12(9-14)7-8-23(17)27(2,25)26/h3-6,9-10,21H,7-8H2,1-2H3,(H,22,24).
What are the key properties of 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide?
5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110623482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).