1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

C20H21FN2O3S — CID 20911661

IUPAC1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1C(=O)C1CCC1
InChIInChI=1S/C20H21FN2O3S/c1-13-11-15-12-16(27(25,26)22-18-8-3-2-7-17(18)21)9-10-19(15)23(13)20(24)14-5-4-6-14/h2-3,7-10,12-14,22H,4-6,11H2,1H3
InChIKeyXWOFJTKKSFYOCI-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.70
Rot. Bonds4

About 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 20911661) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID20911661
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1C(=O)C1CCC1
InChIInChI=1S/C20H21FN2O3S/c1-13-11-15-12-16(27(25,26)22-18-8-3-2-7-17(18)21)9-10-19(15)23(13)20(24)14-5-4-6-14/h2-3,7-10,12-14,22H,4-6,11H2,1H3
InChIKeyXWOFJTKKSFYOCI-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-N-(2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911710
1-(cyclobutanecarbonyl)-N-(3,5-dimethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911656
1-(cyclopropanecarbonyl)-2-methyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20901711
1-(cyclobutanecarbonyl)-N-(2,5-diethoxyphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 20911711
1-benzoyl-2-methyl-N-(2-methylsulfanylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 132671580
cyclobutyl-[(2R)-2-methyl-5-(4-phenylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 92742635
1-(cyclopropanecarbonyl)-2-methyl-N-morpholin-4-yl-2,3-dihydroindole-5-sulfonamide
CID 6624196
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
3-[[(2S)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 92688011
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
2-[[(2S)-1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-[(2S)-2-phenylpropyl]acetamide
CID 92705990
N-cycloheptyl-3-[[(2R)-1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 92687952

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 20911661) is 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is CC1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1C(=O)C1CCC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XWOFJTKKSFYOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13-11-15-12-16(27(25,26)22-18-8-3-2-7-17(18)21)9-10-19(15)23(13)20(24)14-5-4-6-14/h2-3,7-10,12-14,22H,4-6,11H2,1H3.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(2-fluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20911661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).