N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide

C17H15NO3S — CID 2063370

IUPACN-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO3S/c1-18(15-7-9-16(19)10-8-15)22(20,21)17-11-6-13-4-2-3-5-14(13)12-17/h2-12,19H,1H3
InChIKeyQBXIHFBYKBIEOK-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.37
Rot. Bonds3

About N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide

N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide (PubChem CID 2063370) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide
PubChem CID2063370
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide
SMILESCN(c1ccc(O)cc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO3S/c1-18(15-7-9-16(19)10-8-15)22(20,21)17-11-6-13-4-2-3-5-14(13)12-17/h2-12,19H,1H3
InChIKeyQBXIHFBYKBIEOK-UHFFFAOYSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The IUPAC name of N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide (CID 2063370) is N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide is CN(c1ccc(O)cc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide?
The InChIKey is QBXIHFBYKBIEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-18(15-7-9-16(19)10-8-15)22(20,21)17-11-6-13-4-2-3-5-14(13)12-17/h2-12,19H,1H3.
What are the key properties of N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide?
N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-methylnaphthalene-2-sulfonamide is sourced from PubChem (CID 2063370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).