N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide

C12H19NO4S — CID 47371248

IUPACN-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-9(2)18(14,15)13-8-10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyFFUDOAIVDYMOOU-UHFFFAOYSA-N
MW273.35 g/mol
LogP1.53
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide (PubChem CID 47371248) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
PubChem CID47371248
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)C(C)C)cc1OC
InChIInChI=1S/C12H19NO4S/c1-9(2)18(14,15)13-8-10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3
InChIKeyFFUDOAIVDYMOOU-UHFFFAOYSA-N
XLogP1.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]propane-2-sulfonamide
CID 47371751
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
1-(3,4-dimethoxyphenyl)propan-2-yl methanesulfonate
CID 21192341
1-[(3,4-dimethoxyphenyl)methylsulfonyl]propan-2-amine
CID 81188878

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide (CID 47371248) is N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide is COc1ccc(CNS(=O)(=O)C(C)C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide?
The InChIKey is FFUDOAIVDYMOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S/c1-9(2)18(14,15)13-8-10-5-6-11(16-3)12(7-10)17-4/h5-7,9,13H,8H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]propane-2-sulfonamide is sourced from PubChem (CID 47371248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).