5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide

C17H23BrN2O3S — CID 2052773

IUPAC5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCCCC3)c21
InChIInChI=1S/C17H23BrN2O3S/c1-2-16(21)20-9-8-12-10-13(18)11-15(17(12)20)24(22,23)19-14-6-4-3-5-7-14/h10-11,14,19H,2-9H2,1H3
InChIKeyKLCIJCLRYLQXPD-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.36
Rot. Bonds4

About 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide

5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 2052773) has the molecular formula C17H23BrN2O3S and a molecular weight of 415.35 g/mol. Its IUPAC name is 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
PubChem CID2052773
Molecular FormulaC17H23BrN2O3S
Molecular Weight415.35 g/mol
Exact Mass414.06
IUPAC Name5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
SMILESCCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCCCC3)c21
InChIInChI=1S/C17H23BrN2O3S/c1-2-16(21)20-9-8-12-10-13(18)11-15(17(12)20)24(22,23)19-14-6-4-3-5-7-14/h10-11,14,19H,2-9H2,1H3
InChIKeyKLCIJCLRYLQXPD-UHFFFAOYSA-N
XLogP3.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
1-[5-bromo-7-(3,5-dimethylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 4276095
1-(5,7-dibromo-2,3-dihydroindol-1-yl)propan-1-one
CID 82490326
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 4225977
(3S)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 98193982
N-(1-benzylpiperidin-4-yl)-5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindole-7-sulfonamide
CID 15993844
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
1-[7-(4-benzylpiperidin-1-yl)sulfonyl-5-bromo-2,3-dihydroindol-1-yl]propan-1-one
CID 22422219
1-[5-bromo-7-[(3R)-3-[(2R)-2-ethylpiperidine-1-carbonyl]piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 98193889
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 98193957

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide (CID 2052773) is 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide is CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NC3CCCCC3)c21.
What is the InChIKey of 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is KLCIJCLRYLQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O3S/c1-2-16(21)20-9-8-12-10-13(18)11-15(17(12)20)24(22,23)19-14-6-4-3-5-7-14/h10-11,14,19H,2-9H2,1H3.
What are the key properties of 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide?
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 415.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 2052773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).