5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide

C13H21ClN2O4S — CID 102701487

IUPAC5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC(C)OC)c1OC
InChIInChI=1S/C13H21ClN2O4S/c1-9(19-3)7-16-21(17,18)12-6-11(14)5-10(8-15-2)13(12)20-4/h5-6,9,15-16H,7-8H2,1-4H3
InChIKeyGMHLWHIAUWCHNQ-UHFFFAOYSA-N
MW336.84 g/mol
LogP1.38
Rot. Bonds8

About 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide

5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 102701487) has the molecular formula C13H21ClN2O4S and a molecular weight of 336.84 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID102701487
Molecular FormulaC13H21ClN2O4S
Molecular Weight336.84 g/mol
Exact Mass336.09
IUPAC Name5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(Cl)cc(S(=O)(=O)NCC(C)OC)c1OC
InChIInChI=1S/C13H21ClN2O4S/c1-9(19-3)7-16-21(17,18)12-6-11(14)5-10(8-15-2)13(12)20-4/h5-6,9,15-16H,7-8H2,1-4H3
InChIKeyGMHLWHIAUWCHNQ-UHFFFAOYSA-N
XLogP1.38
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-(hydroxymethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102701324
2,5-dichloro-3-(chloromethyl)-N-(2-methoxypropyl)benzenesulfonamide
CID 102701374
3-amino-5-chloro-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102694349
5-chloro-2-methyl-3-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 82884286
5-chloro-N-(2-ethoxypropyl)-2-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106078892
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
5-chloro-2-methoxy-N',N'-dimethyl-3-[(propan-2-ylamino)methyl]benzenesulfonohydrazide
CID 106074909
1-(5-chloro-2-methoxy-3-methylphenyl)-N-methylmethanamine
CID 66679686
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
5-chloro-3-(2,3-dihydroxypropylsulfamoyl)-2-methoxybenzoic acid
CID 66170370
4-chloro-N-(2-methoxypropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 102697538

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (CID 102701487) is 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(Cl)cc(S(=O)(=O)NCC(C)OC)c1OC.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is GMHLWHIAUWCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O4S/c1-9(19-3)7-16-21(17,18)12-6-11(14)5-10(8-15-2)13(12)20-4/h5-6,9,15-16H,7-8H2,1-4H3.
What are the key properties of 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 336.84 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102701487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).