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

C24H25N3O2S — CID 11362134

IUPACN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2S/c28-30(29,24-9-5-7-19-6-1-2-8-22(19)24)25-21-11-10-20-12-15-27(23(20)18-21)17-16-26-13-3-4-14-26/h1-2,5-12,15,18,25H,3-4,13-14,16-17H2
InChIKeyGZZZXKUCQZYPBH-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.69
Rot. Bonds6

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

N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide (PubChem CID 11362134) 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-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
PubChem CID11362134
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC NameN-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide
SMILESO=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12
InChIInChI=1S/C24H25N3O2S/c28-30(29,24-9-5-7-19-6-1-2-8-22(19)24)25-21-11-10-20-12-15-27(23(20)18-21)17-16-26-13-3-4-14-26/h1-2,5-12,15,18,25H,3-4,13-14,16-17H2
InChIKeyGZZZXKUCQZYPBH-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-1-sulfonamide?
The IUPAC name of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide (CID 11362134) is N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide is O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1cccc2ccccc12.
What is the InChIKey of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide?
The InChIKey is GZZZXKUCQZYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c28-30(29,24-9-5-7-19-6-1-2-8-22(19)24)25-21-11-10-20-12-15-27(23(20)18-21)17-16-26-13-3-4-14-26/h1-2,5-12,15,18,25H,3-4,13-14,16-17H2.
What are the key properties of N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-sulfonamide?
N-[1-(2-pyrrolidin-1-ylethyl)indol-6-yl]naphthalene-1-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-1-sulfonamide is sourced from PubChem (CID 11362134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).