[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate

C23H27N3O4S — CID 138403145

IUPAC[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCC1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O4S/c27-23(21-16-24-22-9-5-4-8-20(21)22)30-17-18-10-13-26(14-11-18)15-12-25-31(28,29)19-6-2-1-3-7-19/h1-9,16,18,24-25H,10-15,17H2
InChIKeyIAUOQYCDFSEWNE-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.02
Rot. Bonds8

About [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate

[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate (PubChem CID 138403145) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
PubChem CID138403145
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Name[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCC1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C23H27N3O4S/c27-23(21-16-24-22-9-5-4-8-20(21)22)30-17-18-10-13-26(14-11-18)15-12-25-31(28,29)19-6-2-1-3-7-19/h1-9,16,18,24-25H,10-15,17H2
InChIKeyIAUOQYCDFSEWNE-UHFFFAOYSA-N
XLogP3.02
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[4-[[4-(1H-indol-3-yl)triazol-1-yl]methyl]piperidin-1-yl]ethyl]benzenesulfonamide
CID 162435486
4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
CID 21394682
(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
CID 54523063
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
methyl 2-[[1-[2-(methanesulfonamido)ethyl]piperidin-4-yl]methoxycarbonylamino]benzoate
CID 19962107
[2-oxo-2-(2-phenylethylamino)ethyl] 1H-indole-3-carboxylate
CID 7492818
N-[1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 55498832
ethyl 1H-indole-3-carboxylate;hydrate;hydrochloride
CID 141063038
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035639
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]benzamide
CID 54526531
1-(4-methylpiperidin-1-yl)propan-2-yl 1H-indole-3-carboxylate
CID 54474545

Frequently Asked Questions

What is the IUPAC name of [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate?
The IUPAC name of [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate (CID 138403145) is [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate.
What is the SMILES notation for [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate?
The canonical SMILES for [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate is O=C(OCC1CCN(CCNS(=O)(=O)c2ccccc2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate?
The InChIKey is IAUOQYCDFSEWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c27-23(21-16-24-22-9-5-4-8-20(21)22)30-17-18-10-13-26(14-11-18)15-12-25-31(28,29)19-6-2-1-3-7-19/h1-9,16,18,24-25H,10-15,17H2.
What are the key properties of [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate?
[1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate has a molecular weight of 441.55 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(benzenesulfonamido)ethyl]piperidin-4-yl]methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 138403145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).