N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide

C22H23N3O2S — CID 11417978

IUPACN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-16-19(10-11-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3
InChIKeyHZOLLQLIKRYDDF-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.16
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide

N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide (PubChem CID 11417978) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
PubChem CID11417978
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-16-19(10-11-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3
InChIKeyHZOLLQLIKRYDDF-UHFFFAOYSA-N
XLogP4.16
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide (CID 11417978) is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide is CN(C)CCn1ccc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide?
The InChIKey is HZOLLQLIKRYDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-24(2)14-15-25-13-12-18-16-19(10-11-21(18)25)23-28(26,27)22-9-5-7-17-6-3-4-8-20(17)22/h3-13,16,23H,14-15H2,1-2H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide?
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11417978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).