3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

C15H17NO4S — CID 81265085

IUPAC3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H17NO4S/c1-16(11-12-5-3-7-14(9-12)20-2)21(18,19)15-8-4-6-13(17)10-15/h3-10,17H,11H2,1-2H3
InChIKeySPCBZPSAEDSTKH-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.22
Rot. Bonds5

About 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide

3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 81265085) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID81265085
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCOc1cccc(CN(C)S(=O)(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H17NO4S/c1-16(11-12-5-3-7-14(9-12)20-2)21(18,19)15-8-4-6-13(17)10-15/h3-10,17H,11H2,1-2H3
InChIKeySPCBZPSAEDSTKH-UHFFFAOYSA-N
XLogP2.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylethanesulfonamide
CID 39359758
N-[(3-methoxyphenyl)methyl]-N-phenylbenzenesulfonamide
CID 57388637
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
1-[[[(2R)-1-hydroxypropan-2-yl]sulfamoyl-methylamino]methyl]-3-methoxybenzene
CID 79027963
2,5-dihydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 107722488
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
3-fluoro-N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)benzenesulfonamide
CID 131936762
N-[(3-methoxyphenyl)methyl]-N,4-dimethyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60723984

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 81265085) is 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is COc1cccc(CN(C)S(=O)(=O)c2cccc(O)c2)c1.
What is the InChIKey of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is SPCBZPSAEDSTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-16(11-12-5-3-7-14(9-12)20-2)21(18,19)15-8-4-6-13(17)10-15/h3-10,17H,11H2,1-2H3.
What are the key properties of 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide?
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 81265085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).