4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide

C17H15NO3S — CID 53324528

IUPAC4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc3c(O)cccc3c2)cc1
InChIInChI=1S/C17H15NO3S/c1-18-22(20,21)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
InChIKeyOSRMCLCQKSNYTQ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.12
Rot. Bonds3

About 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide

4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide (PubChem CID 53324528) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide
PubChem CID53324528
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2ccc3c(O)cccc3c2)cc1
InChIInChI=1S/C17H15NO3S/c1-18-22(20,21)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
InChIKeyOSRMCLCQKSNYTQ-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide (CID 53324528) is 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccc3c(O)cccc3c2)cc1.
What is the InChIKey of 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide?
The InChIKey is OSRMCLCQKSNYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-18-22(20,21)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 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide?
4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxynaphthalen-2-yl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 53324528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).