2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide

C13H19Cl2NO3S — CID 935451

IUPAC2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C13H19Cl2NO3S/c1-4-6-16(7-5-2)20(17,18)13-9-10(14)12(19-3)8-11(13)15/h8-9H,4-7H2,1-3H3
InChIKeyPWGWBFOBKNESJB-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.81
Rot. Bonds7

About 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide

2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide (PubChem CID 935451) has the molecular formula C13H19Cl2NO3S and a molecular weight of 340.27 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
PubChem CID935451
Molecular FormulaC13H19Cl2NO3S
Molecular Weight340.27 g/mol
Exact Mass339.05
IUPAC Name2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl
InChIInChI=1S/C13H19Cl2NO3S/c1-4-6-16(7-5-2)20(17,18)13-9-10(14)12(19-3)8-11(13)15/h8-9H,4-7H2,1-3H3
InChIKeyPWGWBFOBKNESJB-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethoxy-N,N-dipropylbenzenesulfonamide
CID 19682152
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
N-(3-amino-2,2-dimethylpropyl)-2,5-dichloro-4-methoxy-N-methylbenzenesulfonamide;hydrochloride
CID 119991685
4-chloro-N-(2-methoxyethyl)-2,5-dimethyl-N-propylbenzenesulfonamide
CID 3868959
2-[(4-chloro-2-methoxyphenyl)sulfonyl-propylamino]acetic acid
CID 61007535
2-chloro-4-(3-hydroxyprop-1-ynyl)-N,N-dipropylbenzenesulfonamide
CID 60823041
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722958
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
3-[(5-chloro-4-methoxy-2-methylphenyl)sulfonyl-methylamino]propanoic acid
CID 120606496
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
N-(2-cyanoethyl)-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 3711528
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzenesulfonamide
CID 61045394

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide (CID 935451) is 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide?
The InChIKey is PWGWBFOBKNESJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S/c1-4-6-16(7-5-2)20(17,18)13-9-10(14)12(19-3)8-11(13)15/h8-9H,4-7H2,1-3H3.
What are the key properties of 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide?
2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide has a molecular weight of 340.27 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 935451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).