N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide

C24H25N3O2S — CID 11166043

IUPACN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2S/c28-30(29,23-10-8-19-5-1-2-6-21(19)17-23)25-22-9-7-20-11-14-27(24(20)18-22)16-15-26-12-3-4-13-26/h1-2,5-11,14,17-18,25H,3-4,12-13,15-16H2
InChIKeyCIFXQNAOTAZMDH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.69
Rot. Bonds6

About N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide

N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide (PubChem CID 11166043) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
PubChem CID11166043
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25N3O2S/c28-30(29,23-10-8-19-5-1-2-6-21(19)17-23)25-22-9-7-20-11-14-27(24(20)18-22)16-15-26-12-3-4-13-26/h1-2,5-11,14,17-18,25H,3-4,12-13,15-16H2
InChIKeyCIFXQNAOTAZMDH-UHFFFAOYSA-N
XLogP4.69
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide (CID 11166043) is N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide is O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide?
The InChIKey is CIFXQNAOTAZMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-30(29,23-10-8-19-5-1-2-6-21(19)17-23)25-22-9-7-20-11-14-27(24(20)18-22)16-15-26-12-3-4-13-26/h1-2,5-11,14,17-18,25H,3-4,12-13,15-16H2.
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide?
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide has a molecular weight of 419.55 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 11166043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).