N,N-dibutyl-2,4-dimethoxybenzenesulfonamide

C16H27NO4S — CID 19682241

IUPACN,N-dibutyl-2,4-dimethoxybenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4S/c1-5-7-11-17(12-8-6-2)22(18,19)16-10-9-14(20-3)13-15(16)21-4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyOALHGIWSZNSZLV-UHFFFAOYSA-N
MW329.46 g/mol
LogP3.29
Rot. Bonds10

About N,N-dibutyl-2,4-dimethoxybenzenesulfonamide

N,N-dibutyl-2,4-dimethoxybenzenesulfonamide (PubChem CID 19682241) has the molecular formula C16H27NO4S and a molecular weight of 329.46 g/mol. Its IUPAC name is N,N-dibutyl-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN,N-dibutyl-2,4-dimethoxybenzenesulfonamide
PubChem CID19682241
Molecular FormulaC16H27NO4S
Molecular Weight329.46 g/mol
Exact Mass329.17
IUPAC NameN,N-dibutyl-2,4-dimethoxybenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C16H27NO4S/c1-5-7-11-17(12-8-6-2)22(18,19)16-10-9-14(20-3)13-15(16)21-4/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyOALHGIWSZNSZLV-UHFFFAOYSA-N
XLogP3.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
2-[(2,4-dimethoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61008795
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
N-(azetidin-3-yl)-2,4-dimethoxy-N-propylbenzenesulfonamide
CID 66214874
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
2-oxodecyl 2,4-dimethoxybenzenesulfonate
CID 13003280
1-butyl-3-(2,4-dimethoxyphenyl)-1-methylurea
CID 23849485
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
2-(2,4-dimethoxyphenyl)sulfonylpropan-2-ol
CID 117037282
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N,N-dibutyl-2,4-dimethoxybenzenesulfonamide (CID 19682241) is N,N-dibutyl-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N,N-dibutyl-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N,N-dibutyl-2,4-dimethoxybenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N,N-dibutyl-2,4-dimethoxybenzenesulfonamide?
The InChIKey is OALHGIWSZNSZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4S/c1-5-7-11-17(12-8-6-2)22(18,19)16-10-9-14(20-3)13-15(16)21-4/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of N,N-dibutyl-2,4-dimethoxybenzenesulfonamide?
N,N-dibutyl-2,4-dimethoxybenzenesulfonamide has a molecular weight of 329.46 g/mol, XLogP of 3.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 19682241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).