N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide

C22H25N3O2S2 — CID 11647603

IUPACN-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21
InChIInChI=1S/C22H25N3O2S2/c1-3-24(4-2)13-14-25-12-11-17-15-18(9-10-20(17)25)23-29(26,27)22-16-28-21-8-6-5-7-19(21)22/h5-12,15-16,23H,3-4,13-14H2,1-2H3
InChIKeyBQUPGPZQIDJROL-UHFFFAOYSA-N
MW427.60 g/mol
LogP5.00
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide

N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide (PubChem CID 11647603) has the molecular formula C22H25N3O2S2 and a molecular weight of 427.60 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
PubChem CID11647603
Molecular FormulaC22H25N3O2S2
Molecular Weight427.60 g/mol
Exact Mass427.14
IUPAC NameN-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide
SMILESCCN(CC)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21
InChIInChI=1S/C22H25N3O2S2/c1-3-24(4-2)13-14-25-12-11-17-15-18(9-10-20(17)25)23-29(26,27)22-16-28-21-8-6-5-7-19(21)22/h5-12,15-16,23H,3-4,13-14H2,1-2H3
InChIKeyBQUPGPZQIDJROL-UHFFFAOYSA-N
XLogP5.00
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide (CID 11647603) is N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide is CCN(CC)CCn1ccc2cc(NS(=O)(=O)c3csc4ccccc34)ccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
The InChIKey is BQUPGPZQIDJROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S2/c1-3-24(4-2)13-14-25-12-11-17-15-18(9-10-20(17)25)23-29(26,27)22-16-28-21-8-6-5-7-19(21)22/h5-12,15-16,23H,3-4,13-14H2,1-2H3.
What are the key properties of N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide?
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide has a molecular weight of 427.60 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]indol-5-yl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 11647603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).