1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C18H24N2O4S — CID 122174957

IUPAC1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H24N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h6-7,11,13,15,19H,1-5,8-10,12H2
InChIKeyKXIDUWZKABEZBA-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.83
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 122174957) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID122174957
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C18H24N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h6-7,11,13,15,19H,1-5,8-10,12H2
InChIKeyKXIDUWZKABEZBA-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 50806732
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148959
1-(cyclobutanecarbonyl)-N-(furan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3238776
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
1-(cyclobutanecarbonyl)-N-(2-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621685
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
cyclobutyl-[5-[1-(oxolane-2-carbonyl)piperidin-4-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 71305142

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 122174957) is 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3CCCO3)ccc21.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KXIDUWZKABEZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-18(13-3-1-4-13)20-9-8-14-11-16(6-7-17(14)20)25(22,23)19-12-15-5-2-10-24-15/h6-7,11,13,15,19H,1-5,8-10,12H2.
What are the key properties of 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122174957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).