4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline

C13H20ClNO4S — CID 106722958

IUPAC4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO4S/c1-4-6-20(16,17)7-5-15-11-9-12(18-2)10(14)8-13(11)19-3/h8-9,15H,4-7H2,1-3H3
InChIKeyACBBJXIKSWFKPN-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.59
Rot. Bonds8

About 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline

4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline (PubChem CID 106722958) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline.

Molecular Properties

Compound Name4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
PubChem CID106722958
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline
SMILESCCCS(=O)(=O)CCNc1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C13H20ClNO4S/c1-4-6-20(16,17)7-5-15-11-9-12(18-2)10(14)8-13(11)19-3/h8-9,15H,4-7H2,1-3H3
InChIKeyACBBJXIKSWFKPN-UHFFFAOYSA-N
XLogP2.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2,5-dimethoxy-N-(2-propoxyethyl)aniline
CID 106451234
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
3-(4-chloro-2,5-dimethoxyanilino)propanamide
CID 43132016
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
2-chloro-4,5-dimethoxy-N-propylaniline
CID 43712569
4-chloro-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 2243556
N-(5-chloro-2,4-dimethoxyphenyl)-N',N'-diethylethane-1,2-diamine
CID 28576071
2-(4-chloro-2,5-dimethoxyanilino)acetonitrile
CID 28572786
2,5-diethoxy-N-(2-propylsulfonylethyl)aniline
CID 106722974
5-chloro-N-(2-ethoxyethyl)-2,4-dimethoxyaniline
CID 43387887
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106057660

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline?
The IUPAC name of 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline (CID 106722958) is 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline.
What is the SMILES notation for 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline?
The canonical SMILES for 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline is CCCS(=O)(=O)CCNc1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline?
The InChIKey is ACBBJXIKSWFKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-4-6-20(16,17)7-5-15-11-9-12(18-2)10(14)8-13(11)19-3/h8-9,15H,4-7H2,1-3H3.
What are the key properties of 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline?
4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline has a molecular weight of 321.83 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethoxy-N-(2-propylsulfonylethyl)aniline is sourced from PubChem (CID 106722958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).