5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide

C12H19ClN2O3S — CID 120716555

IUPAC5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H19ClN2O3S/c1-3-6-14-7-8-15-19(16,17)12-9-10(13)4-5-11(12)18-2/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyIZOAIHNHCCAXKF-UHFFFAOYSA-N
MW306.81 g/mol
LogP1.63
Rot. Bonds8

About 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide

5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 120716555) has the molecular formula C12H19ClN2O3S and a molecular weight of 306.81 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID120716555
Molecular FormulaC12H19ClN2O3S
Molecular Weight306.81 g/mol
Exact Mass306.08
IUPAC Name5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C12H19ClN2O3S/c1-3-6-14-7-8-15-19(16,17)12-9-10(13)4-5-11(12)18-2/h4-5,9,14-15H,3,6-8H2,1-2H3
InChIKeyIZOAIHNHCCAXKF-UHFFFAOYSA-N
XLogP1.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-propylbenzenesulfonamide
CID 2234484
2-[4-chloro-2-[2-(propylamino)ethylsulfamoyl]phenoxy]acetamide
CID 120716467
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
4-chloro-2-fluoro-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716073
5-chloro-N-[4-(diethylamino)butyl]-2-methoxybenzenesulfonamide
CID 110446678
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]-2-methoxybenzenesulfonamide
CID 122325569
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
CID 70601990
CID 70601990
5-chloro-2-methoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 113065075
5-chloro-N-[2-(ethylamino)ethyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide
CID 120708878
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 120716555) is 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is IZOAIHNHCCAXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O3S/c1-3-6-14-7-8-15-19(16,17)12-9-10(13)4-5-11(12)18-2/h4-5,9,14-15H,3,6-8H2,1-2H3.
What are the key properties of 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide?
5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 306.81 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 120716555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).