5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide

C21H17NO3S — CID 10150268

IUPAC5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccc2c(O)cccc2c1
InChIInChI=1S/C21H17NO3S/c23-21-10-4-7-16-13-18(11-12-20(16)21)26(24,25)22-14-17-8-3-6-15-5-1-2-9-19(15)17/h1-13,22-23H,14H2
InChIKeyCXNSMDDMOQTSAL-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.18
Rot. Bonds4

About 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide

5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide (PubChem CID 10150268) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide
PubChem CID10150268
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccc2c(O)cccc2c1
InChIInChI=1S/C21H17NO3S/c23-21-10-4-7-16-13-18(11-12-20(16)21)26(24,25)22-14-17-8-3-6-15-5-1-2-9-19(15)17/h1-13,22-23H,14H2
InChIKeyCXNSMDDMOQTSAL-UHFFFAOYSA-N
XLogP4.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide?
The IUPAC name of 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide (CID 10150268) is 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide?
The canonical SMILES for 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide is O=S(=O)(NCc1cccc2ccccc12)c1ccc2c(O)cccc2c1.
What is the InChIKey of 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide?
The InChIKey is CXNSMDDMOQTSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-21-10-4-7-16-13-18(11-12-20(16)21)26(24,25)22-14-17-8-3-6-15-5-1-2-9-19(15)17/h1-13,22-23H,14H2.
What are the key properties of 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide?
5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(naphthalen-1-ylmethyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 10150268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).