1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide

C17H24N2O3S — CID 5062232

IUPAC1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C17H24N2O3S/c1-12(2)7-9-18-23(21,22)15-5-6-16-14(11-15)8-10-19(16)17(20)13-3-4-13/h5-6,11-13,18H,3-4,7-10H2,1-2H3
InChIKeyHHESLGSSIUTNTN-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.31
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide

1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 5062232) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID5062232
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
InChIInChI=1S/C17H24N2O3S/c1-12(2)7-9-18-23(21,22)15-5-6-16-14(11-15)8-10-19(16)17(20)13-3-4-13/h5-6,11-13,18H,3-4,7-10H2,1-2H3
InChIKeyHHESLGSSIUTNTN-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(azepan-1-yl)-4-oxobutanoyl]-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide
CID 53025625
1-(cyclopropanecarbonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853225
1-(cyclopropanecarbonyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 46361248
5-[5-(3-methylbutylsulfamoyl)-2,3-dihydroindol-1-yl]-5-oxopentanoic acid
CID 20858685
1-(cyclobutanecarbonyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 15996298
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 100561594
N-cycloheptyl-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361186
1-(cyclopropanecarbonyl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46972315
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-(cyclobutanecarbonyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 20853294
1-(cyclopropanecarbonyl)-N-[(3-propan-2-yloxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 100610018

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide (CID 5062232) is 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide is CC(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HHESLGSSIUTNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(2)7-9-18-23(21,22)15-5-6-16-14(11-15)8-10-19(16)17(20)13-3-4-13/h5-6,11-13,18H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide?
1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(3-methylbutyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 5062232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).