N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C22H23NO3S — CID 56764150

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2
InChIKeyOMHVPXJNAJQVQX-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.73
Rot. Bonds5

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 56764150) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID56764150
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESO=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2
InChIKeyOMHVPXJNAJQVQX-UHFFFAOYSA-N
XLogP3.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 56764150) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is O=S(=O)(NCC(O)c1cccc2ccccc12)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is OMHVPXJNAJQVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c24-22(21-11-5-9-17-7-3-4-10-20(17)21)15-23-27(25,26)19-13-12-16-6-1-2-8-18(16)14-19/h3-5,7,9-14,22-24H,1-2,6,8,15H2.
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 381.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 56764150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).