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

C22H23N3O2S — CID 11234781

IUPACN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)13-14-25-12-11-19-15-20(8-10-22(19)25)23-28(26,27)21-9-7-17-5-3-4-6-18(17)16-21/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyPDCOMLBLPLOGHW-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.16
Rot. Bonds6

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

N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide (PubChem CID 11234781) 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-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
PubChem CID11234781
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide
SMILESCN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21
InChIInChI=1S/C22H23N3O2S/c1-24(2)13-14-25-12-11-19-15-20(8-10-22(19)25)23-28(26,27)21-9-7-17-5-3-4-6-18(17)16-21/h3-12,15-16,23H,13-14H2,1-2H3
InChIKeyPDCOMLBLPLOGHW-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-2-sulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide (CID 11234781) is N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide is CN(C)CCn1ccc2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide?
The InChIKey is PDCOMLBLPLOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-24(2)13-14-25-12-11-19-15-20(8-10-22(19)25)23-28(26,27)21-9-7-17-5-3-4-6-18(17)16-21/h3-12,15-16,23H,13-14H2,1-2H3.
What are the key properties of N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-sulfonamide?
N-[1-[2-(dimethylamino)ethyl]indol-5-yl]naphthalene-2-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-2-sulfonamide is sourced from PubChem (CID 11234781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).