3-(2,4-dimethoxyphenyl)propane-1-sulfonamide

C11H17NO4S — CID 175051954

IUPAC3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccc(CCCS(N)(=O)=O)c(OC)c1
InChIInChI=1S/C11H17NO4S/c1-15-10-6-5-9(11(8-10)16-2)4-3-7-17(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeySBHVOLNKRPBIAJ-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.92
Rot. Bonds6

About 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide

3-(2,4-dimethoxyphenyl)propane-1-sulfonamide (PubChem CID 175051954) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
PubChem CID175051954
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
SMILESCOc1ccc(CCCS(N)(=O)=O)c(OC)c1
InChIInChI=1S/C11H17NO4S/c1-15-10-6-5-9(11(8-10)16-2)4-3-7-17(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14)
InChIKeySBHVOLNKRPBIAJ-UHFFFAOYSA-N
XLogP0.92
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
N-[2-(2,4-dimethoxyphenyl)ethyl]-N-methylpropan-2-amine
CID 117044148
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
4-bromo-1-(3-ethylsulfonylpropyl)-2-methoxybenzene
CID 75503099
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
CID 116851597
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
[5-bromo-2-[2-(2,4-dimethoxyphenyl)ethylsulfonyl]phenyl]methanol
CID 157270721
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide (CID 175051954) is 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide is COc1ccc(CCCS(N)(=O)=O)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide?
The InChIKey is SBHVOLNKRPBIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-15-10-6-5-9(11(8-10)16-2)4-3-7-17(12,13)14/h5-6,8H,3-4,7H2,1-2H3,(H2,12,13,14).
What are the key properties of 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide?
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 175051954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).