N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide

C14H15NO4S — CID 53221096

IUPACN-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1O
InChIInChI=1S/C14H15NO4S/c1-19-14-9-11(6-7-13(14)16)10-4-3-5-12(8-10)15-20(2,17)18/h3-9,15-16H,1-2H3
InChIKeyDINSPZPGMWIWCK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.44
Rot. Bonds4

About N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide

N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide (PubChem CID 53221096) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
PubChem CID53221096
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC NameN-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1O
InChIInChI=1S/C14H15NO4S/c1-19-14-9-11(6-7-13(14)16)10-4-3-5-12(8-10)15-20(2,17)18/h3-9,15-16H,1-2H3
InChIKeyDINSPZPGMWIWCK-UHFFFAOYSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
CID 68525317
2-methoxy-4-(4-methylsulfonylphenyl)phenol
CID 53221054
N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide
CID 155428735
N-[3-(methanesulfonamido)phenyl]-3,4-dimethoxybenzenesulfonamide
CID 25331173
N-[3-[2-(2,4-dimethoxybenzoyl)-3-methyl-1-benzofuran-6-yl]phenyl]methanesulfonamide
CID 68511610
N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 4900524
N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
CID 67216303
6-(4-hydroxy-3-methoxyphenyl)naphthalen-1-ol
CID 56648216
methanesulfonic acid;2-methoxyphenol
CID 71332079
4-[[3-(3,4-dimethoxyphenyl)phenyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596202
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide (CID 53221096) is N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide is COc1cc(-c2cccc(NS(C)(=O)=O)c2)ccc1O.
What is the InChIKey of N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide?
The InChIKey is DINSPZPGMWIWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-19-14-9-11(6-7-13(14)16)10-4-3-5-12(8-10)15-20(2,17)18/h3-9,15-16H,1-2H3.
What are the key properties of N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide?
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 53221096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).