1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide

C22H26N2O5S2 — CID 24946816

IUPAC1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide
SMILESCCc1cccc2c1c(S(=O)(=O)NCC1CCOCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O5S2/c1-2-18-7-6-10-20-22(18)21(30(25,26)23-15-17-11-13-29-14-12-17)16-24(20)31(27,28)19-8-4-3-5-9-19/h3-10,16-17,23H,2,11-15H2,1H3
InChIKeyHTOITDMSHBUGQV-UHFFFAOYSA-N
MW462.59 g/mol
LogP3.15
Rot. Bonds7

About 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide

1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide (PubChem CID 24946816) has the molecular formula C22H26N2O5S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide
PubChem CID24946816
Molecular FormulaC22H26N2O5S2
Molecular Weight462.59 g/mol
Exact Mass462.13
IUPAC Name1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide
SMILESCCc1cccc2c1c(S(=O)(=O)NCC1CCOCC1)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H26N2O5S2/c1-2-18-7-6-10-20-22(18)21(30(25,26)23-15-17-11-13-29-14-12-17)16-24(20)31(27,28)19-8-4-3-5-9-19/h3-10,16-17,23H,2,11-15H2,1H3
InChIKeyHTOITDMSHBUGQV-UHFFFAOYSA-N
XLogP3.15
TPSA94.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)indole-3-sulfonamide
CID 24947558
1-(benzenesulfonyl)-N-[2-(oxan-4-yl)ethyl]-4-propan-2-ylindole-3-sulfonamide
CID 24946119
1-(benzenesulfonyl)-4-ethylindole-3-sulfonic acid
CID 87727667
1-(benzenesulfonyl)-4-cyano-N-(2-methoxyethyl)indole-3-sulfonamide
CID 24947555
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
2-methoxy-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109576
1-[1-(benzenesulfonyl)-4-(morpholin-4-ylmethyl)indol-3-yl]ethyl formate
CID 174801719
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
5-(benzenesulfonyl)-N-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 57430520
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 2810735
methyl 2-[4-[[1-(benzenesulfonyl)-4-(trifluoromethyl)indol-3-yl]sulfonylamino]piperidin-1-yl]-2-oxoacetate
CID 24948104
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide?
The IUPAC name of 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide (CID 24946816) is 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide.
What is the SMILES notation for 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide?
The canonical SMILES for 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide is CCc1cccc2c1c(S(=O)(=O)NCC1CCOCC1)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide?
The InChIKey is HTOITDMSHBUGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S2/c1-2-18-7-6-10-20-22(18)21(30(25,26)23-15-17-11-13-29-14-12-17)16-24(20)31(27,28)19-8-4-3-5-9-19/h3-10,16-17,23H,2,11-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide?
1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide has a molecular weight of 462.59 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-ethyl-N-(oxan-4-ylmethyl)indole-3-sulfonamide is sourced from PubChem (CID 24946816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).