N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide

C17H22N2O3S — CID 75522855

IUPACN-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)Nc2cccc(N(C)C)c2C)c1
InChIInChI=1S/C17H22N2O3S/c1-13-16(9-6-10-17(13)19(2)3)18-23(20,21)12-14-7-5-8-15(11-14)22-4/h5-11,18H,12H2,1-4H3
InChIKeyABMCBGQBAGZETO-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.01
Rot. Bonds6

About N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide

N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide (PubChem CID 75522855) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide
PubChem CID75522855
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide
SMILESCOc1cccc(CS(=O)(=O)Nc2cccc(N(C)C)c2C)c1
InChIInChI=1S/C17H22N2O3S/c1-13-16(9-6-10-17(13)19(2)3)18-23(20,21)12-14-7-5-8-15(11-14)22-4/h5-11,18H,12H2,1-4H3
InChIKeyABMCBGQBAGZETO-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777958
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide
CID 120717566
N-[2-(2-methoxyethylamino)ethyl]-1-(3-methoxyphenyl)methanesulfonamide;hydrochloride
CID 120717565
N-(2,5-dimethoxy-4-methylphenyl)-1-(3-methylphenyl)methanesulfonamide
CID 110777825
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 86989533
1-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylmethanesulfonamide
CID 99837751
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(benzenesulfonylmethyl)-3-methoxybenzene;ethane
CID 176977930
(3-methoxyphenyl)methyl-methylsulfamic acid
CID 112705076
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide (CID 75522855) is N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide is COc1cccc(CS(=O)(=O)Nc2cccc(N(C)C)c2C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide?
The InChIKey is ABMCBGQBAGZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-13-16(9-6-10-17(13)19(2)3)18-23(20,21)12-14-7-5-8-15(11-14)22-4/h5-11,18H,12H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide?
N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-methylphenyl]-1-(3-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 75522855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).