N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

C15H17NO4S — CID 39845457

IUPACN-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(O)c2)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-8-15(11(2)7-14(10)20-3)21(18,19)16-12-5-4-6-13(17)9-12/h4-9,16-17H,1-3H3
InChIKeyMZEKYOHHXJSLQL-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.82
Rot. Bonds4

About N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide

N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 39845457) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID39845457
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(O)c2)cc1C
InChIInChI=1S/C15H17NO4S/c1-10-8-15(11(2)7-14(10)20-3)21(18,19)16-12-5-4-6-13(17)9-12/h4-9,16-17H,1-3H3
InChIKeyMZEKYOHHXJSLQL-UHFFFAOYSA-N
XLogP2.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 39845457) is N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc(O)c2)cc1C.
What is the InChIKey of N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is MZEKYOHHXJSLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-10-8-15(11(2)7-14(10)20-3)21(18,19)16-12-5-4-6-13(17)9-12/h4-9,16-17H,1-3H3.
What are the key properties of N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 39845457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).