N-(2-methoxyphenyl)-N-methylmethanesulfonamide

C9H13NO3S — CID 61061885

IUPACN-(2-methoxyphenyl)-N-methylmethanesulfonamide
SMILESCOc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(14(3,11)12)8-6-4-5-7-9(8)13-2/h4-7H,1-3H3
InChIKeyKCBATXQNMWZAKQ-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.09
Rot. Bonds3

About N-(2-methoxyphenyl)-N-methylmethanesulfonamide

N-(2-methoxyphenyl)-N-methylmethanesulfonamide (PubChem CID 61061885) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-methylmethanesulfonamide
PubChem CID61061885
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-(2-methoxyphenyl)-N-methylmethanesulfonamide
SMILESCOc1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-10(14(3,11)12)8-6-4-5-7-9(8)13-2/h4-7H,1-3H3
InChIKeyKCBATXQNMWZAKQ-UHFFFAOYSA-N
XLogP1.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
4-methoxy-3-[methyl(methylsulfonyl)amino]benzenesulfonamide
CID 7730636
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 99645643
N-iodo-2-methoxy-N-methylaniline
CID 153134478
N-(2-methoxyphenyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 62003809
N-(2-methoxyphenyl)-N-methylformamide
CID 12838509
4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
N-methoxy-4-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 17476225
propan-2-yl 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoate
CID 43004476
5-[(2-methoxyphenyl)-methylsulfamoyl]-2,4-dimethylbenzoic acid
CID 56797651
methyl 2-[2-[methyl(methylsulfonyl)amino]phenyl]propanoate
CID 67479231
2,6-dimethoxy-N-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 113094497

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-methylmethanesulfonamide (CID 61061885) is N-(2-methoxyphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-methylmethanesulfonamide is COc1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyphenyl)-N-methylmethanesulfonamide?
The InChIKey is KCBATXQNMWZAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-10(14(3,11)12)8-6-4-5-7-9(8)13-2/h4-7H,1-3H3.
What are the key properties of N-(2-methoxyphenyl)-N-methylmethanesulfonamide?
N-(2-methoxyphenyl)-N-methylmethanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 61061885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).