2,4-dimethoxy-N,N-dipropylbenzenesulfonamide

C14H23NO4S — CID 19682152

IUPAC2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO4S/c1-5-9-15(10-6-2)20(16,17)14-8-7-12(18-3)11-13(14)19-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyMYKCLAHUQORGSO-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.51
Rot. Bonds8

About 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide

2,4-dimethoxy-N,N-dipropylbenzenesulfonamide (PubChem CID 19682152) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
PubChem CID19682152
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC Name2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H23NO4S/c1-5-9-15(10-6-2)20(16,17)14-8-7-12(18-3)11-13(14)19-4/h7-8,11H,5-6,9-10H2,1-4H3
InChIKeyMYKCLAHUQORGSO-UHFFFAOYSA-N
XLogP2.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dibutyl-2,4-dimethoxybenzenesulfonamide
CID 19682241
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304
2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
CID 935451
2,5-dimethoxy-N-(2-piperazin-1-ylsulfonylethyl)-N-propylbenzenesulfonamide
CID 20971411
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide (CID 19682152) is 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide?
The InChIKey is MYKCLAHUQORGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-5-9-15(10-6-2)20(16,17)14-8-7-12(18-3)11-13(14)19-4/h7-8,11H,5-6,9-10H2,1-4H3.
What are the key properties of 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide?
2,4-dimethoxy-N,N-dipropylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 19682152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).