N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide

C17H15NO3S — CID 53325844

IUPACN-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(O)cccc3c2)cc1
InChIInChI=1S/C17H15NO3S/c1-22(20,21)18-15-8-5-12(6-9-15)13-7-10-16-14(11-13)3-2-4-17(16)19/h2-11,18-19H,1H3
InChIKeyAMXOIJDKDUVATI-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.58
Rot. Bonds3

About N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide

N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide (PubChem CID 53325844) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide
PubChem CID53325844
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC NameN-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc3c(O)cccc3c2)cc1
InChIInChI=1S/C17H15NO3S/c1-22(20,21)18-15-8-5-12(6-9-15)13-7-10-16-14(11-13)3-2-4-17(16)19/h2-11,18-19H,1H3
InChIKeyAMXOIJDKDUVATI-UHFFFAOYSA-N
XLogP3.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide (CID 53325844) is N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc3c(O)cccc3c2)cc1.
What is the InChIKey of N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide?
The InChIKey is AMXOIJDKDUVATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-22(20,21)18-15-8-5-12(6-9-15)13-7-10-16-14(11-13)3-2-4-17(16)19/h2-11,18-19H,1H3.
What are the key properties of N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide?
N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-hydroxynaphthalen-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 53325844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).