1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide

C24H30N2O5S2 — CID 24946119

IUPAC1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide
SMILESCC(C)c1cccc2c1c(S(=O)(=O)NCCC1CCOCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30N2O5S2/c1-18(2)21-9-6-10-22-24(21)23(17-26(22)33(29,30)20-7-4-3-5-8-20)32(27,28)25-14-11-19-12-15-31-16-13-19/h3-10,17-19,25H,11-16H2,1-2H3
InChIKeyNMQXSWIUSRTGCN-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.10
Rot. Bonds8

About 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide

1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide (PubChem CID 24946119) has the molecular formula C24H30N2O5S2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide
PubChem CID24946119
Molecular FormulaC24H30N2O5S2
Molecular Weight490.65 g/mol
Exact Mass490.16
IUPAC Name1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide
SMILESCC(C)c1cccc2c1c(S(=O)(=O)NCCC1CCOCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H30N2O5S2/c1-18(2)21-9-6-10-22-24(21)23(17-26(22)33(29,30)20-7-4-3-5-8-20)32(27,28)25-14-11-19-12-15-31-16-13-19/h3-10,17-19,25H,11-16H2,1-2H3
InChIKeyNMQXSWIUSRTGCN-UHFFFAOYSA-N
XLogP4.10
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide
CID 24946816
1-(benzenesulfonyl)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)indole-3-sulfonamide
CID 24947558
1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide
CID 24947555
N-(4-aminocyclohexyl)-1-(benzenesulfonyl)-4-(trifluoromethyl)indole-3-sulfonamide
CID 24947737
1-[1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)indol-3-yl]ethyl formate
CID 174801719
1-(benzenesulfonyl)-4-ethylindole-3-sulfonic acid
CID 87727667
4-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]piperidine-1-carboxylic acid
CID 69188275
methyl 2-[4-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]piperidin-1-yl]-2-oxoacetate
CID 24948104
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
N-[2-(oxan-4-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 171675219
1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
CID 71458811
1-(benzenesulfonyl)-3-[1-(4-methylpiperazin-1-yl)ethyl]indole
CID 69184356

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide (CID 24946119) is 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide is CC(C)c1cccc2c1c(S(=O)(=O)NCCC1CCOCC1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide?
The InChIKey is NMQXSWIUSRTGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S2/c1-18(2)21-9-6-10-22-24(21)23(17-26(22)33(29,30)20-7-4-3-5-8-20)32(27,28)25-14-11-19-12-15-31-16-13-19/h3-10,17-19,25H,11-16H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide?
1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide has a molecular weight of 490.65 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide is sourced from PubChem (CID 24946119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).