1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

C20H31N5O5S2 — CID 16599297

IUPAC1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H31N5O5S2/c21-31(27,28)18-5-6-19-17(15-18)7-10-25(19)20(26)16-22-11-13-24(14-12-22)32(29,30)23-8-3-1-2-4-9-23/h5-6,15H,1-4,7-14,16H2,(H2,21,27,28)
InChIKeyIPQSCMJXZWDDPL-UHFFFAOYSA-N
MW485.63 g/mol
LogP-0.04
Rot. Bonds5

About 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 16599297) has the molecular formula C20H31N5O5S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID16599297
Molecular FormulaC20H31N5O5S2
Molecular Weight485.63 g/mol
Exact Mass485.18
IUPAC Name1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1
InChIInChI=1S/C20H31N5O5S2/c21-31(27,28)18-5-6-19-17(15-18)7-10-25(19)20(26)16-22-11-13-24(14-12-22)32(29,30)23-8-3-1-2-4-9-23/h5-6,15H,1-4,7-14,16H2,(H2,21,27,28)
InChIKeyIPQSCMJXZWDDPL-UHFFFAOYSA-N
XLogP-0.04
TPSA124.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-[2-[4-(adamantane-1-carbonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55478576
1-[2-[(3R)-3-methylpiperidin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 31539906
1-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35171895
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239
N-(2,3-dimethylphenyl)-2-[4-[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 16576239
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 71060712
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-(azepan-1-yl)-4-[5-(4-ethylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]butane-1,4-dione
CID 53025637

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 16599297) is 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(S(=O)(=O)N2CCCCCC2)CC1.
What is the InChIKey of 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is IPQSCMJXZWDDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O5S2/c21-31(27,28)18-5-6-19-17(15-18)7-10-25(19)20(26)16-22-11-13-24(14-12-22)32(29,30)23-8-3-1-2-4-9-23/h5-6,15H,1-4,7-14,16H2,(H2,21,27,28).
What are the key properties of 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide?
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 485.63 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 16599297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).