N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

C16H19NO5S2 — CID 55915793

IUPACN-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C16H19NO5S2/c1-12-7-8-15(23(3,18)19)10-16(12)24(20,21)17-11-13-5-4-6-14(9-13)22-2/h4-10,17H,11H2,1-3H3
InChIKeyOMUUEYXRTGCDMB-UHFFFAOYSA-N
MW369.46 g/mol
LogP1.89
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide

N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (PubChem CID 55915793) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
PubChem CID55915793
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1
InChIInChI=1S/C16H19NO5S2/c1-12-7-8-15(23(3,18)19)10-16(12)24(20,21)17-11-13-5-4-6-14(9-13)22-2/h4-10,17H,11H2,1-3H3
InChIKeyOMUUEYXRTGCDMB-UHFFFAOYSA-N
XLogP1.89
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-methyl-3-nitrobenzenesulfonamide
CID 31481454
N-[(3-methoxyphenyl)methyl]-3-methylsulfonylaniline
CID 60699405
3-amino-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028648
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
3-amino-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 61028920
5-fluoro-2-methoxy-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 53288976
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 60539837
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2-methyl-5-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120724268
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
N-benzyl-2,4-dimethoxybenzenesulfonamide
CID 17375991

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide (CID 55915793) is N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is COc1cccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
The InChIKey is OMUUEYXRTGCDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-12-7-8-15(23(3,18)19)10-16(12)24(20,21)17-11-13-5-4-6-14(9-13)22-2/h4-10,17H,11H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide?
N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-methyl-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 55915793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).