1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C14H18N2O3S — CID 107002948

IUPAC1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC1(C)CC1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H18N2O3S/c1-14(2)8-11(14)13(17)16-6-5-9-7-10(20(15,18)19)3-4-12(9)16/h3-4,7,11H,5-6,8H2,1-2H3,(H2,15,18,19)
InChIKeyIXYCBYZQMMCZSP-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.27
Rot. Bonds2

About 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 107002948) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID107002948
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC1(C)CC1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C14H18N2O3S/c1-14(2)8-11(14)13(17)16-6-5-9-7-10(20(15,18)19)3-4-12(9)16/h3-4,7,11H,5-6,8H2,1-2H3,(H2,15,18,19)
InChIKeyIXYCBYZQMMCZSP-UHFFFAOYSA-N
XLogP1.27
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonamide
CID 57047254
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-(4-methylthiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 79807783
1-(3-methylthiophene-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 60698710
1-(1H-pyrazole-4-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 63081047
(5-amino-2,3-dihydroindol-1-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107174724
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-(5-bromothiophene-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 107965281

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 107002948) is 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is CC1(C)CC1C(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IXYCBYZQMMCZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-14(2)8-11(14)13(17)16-6-5-9-7-10(20(15,18)19)3-4-12(9)16/h3-4,7,11H,5-6,8H2,1-2H3,(H2,15,18,19).
What are the key properties of 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 107002948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).