5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide

C22H23N3O3S — CID 589880

IUPAC5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3c[nH]c4ccc(O)cc34)cccc12
InChIInChI=1S/C22H23N3O3S/c1-25(2)21-7-3-6-18-17(21)5-4-8-22(18)29(27,28)24-12-11-15-14-23-20-10-9-16(26)13-19(15)20/h3-10,13-14,23-24,26H,11-12H2,1-2H3
InChIKeyYNENLFDGNPLYPQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.61
Rot. Bonds6

About 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide (PubChem CID 589880) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
PubChem CID589880
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3c[nH]c4ccc(O)cc34)cccc12
InChIInChI=1S/C22H23N3O3S/c1-25(2)21-7-3-6-18-17(21)5-4-8-22(18)29(27,28)24-12-11-15-14-23-20-10-9-16(26)13-19(15)20/h3-10,13-14,23-24,26H,11-12H2,1-2H3
InChIKeyYNENLFDGNPLYPQ-UHFFFAOYSA-N
XLogP3.61
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide (CID 589880) is 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCc3c[nH]c4ccc(O)cc34)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
The InChIKey is YNENLFDGNPLYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-25(2)21-7-3-6-18-17(21)5-4-8-22(18)29(27,28)24-12-11-15-14-23-20-10-9-16(26)13-19(15)20/h3-10,13-14,23-24,26H,11-12H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 589880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).