4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

C13H20ClN3O3S — CID 106075759

IUPAC4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-15-10-11-9-12(3-4-13(11)14)21(18,19)16-17-5-7-20-8-6-17/h3-4,9,15-16H,2,5-8,10H2,1H3
InChIKeySFMFKQVYWHZBIA-UHFFFAOYSA-N
MW333.84 g/mol
LogP0.98
Rot. Bonds6

About 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide

4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 106075759) has the molecular formula C13H20ClN3O3S and a molecular weight of 333.84 g/mol. Its IUPAC name is 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
PubChem CID106075759
Molecular FormulaC13H20ClN3O3S
Molecular Weight333.84 g/mol
Exact Mass333.09
IUPAC Name4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCOCC2)ccc1Cl
InChIInChI=1S/C13H20ClN3O3S/c1-2-15-10-11-9-12(3-4-13(11)14)21(18,19)16-17-5-7-20-8-6-17/h3-4,9,15-16H,2,5-8,10H2,1H3
InChIKeySFMFKQVYWHZBIA-UHFFFAOYSA-N
XLogP0.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(ethylaminomethyl)-N-piperidin-1-ylbenzenesulfonamide
CID 106075428
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
1-ethyl-5-(ethylaminomethyl)-N-morpholin-4-ylpyrrole-3-sulfonamide
CID 106075901
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
4-(aminomethyl)-3-methyl-N-morpholin-4-ylbenzenesulfonamide
CID 106919541
4-chloro-N-(3,3-dimethylbutan-2-yl)-3-(ethylaminomethyl)benzenesulfonamide
CID 106079126
N-[(2-chloro-3-fluoro-5-morpholin-4-ylsulfonylphenyl)methyl]ethanamine
CID 81452348
4-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83026009
4-chloro-N-[2-(dimethylamino)propyl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106017229
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
4-chloro-3-(ethylaminomethyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106064780
4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide (CID 106075759) is 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is CCNCc1cc(S(=O)(=O)NN2CCOCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is SFMFKQVYWHZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3S/c1-2-15-10-11-9-12(3-4-13(11)14)21(18,19)16-17-5-7-20-8-6-17/h3-4,9,15-16H,2,5-8,10H2,1H3.
What are the key properties of 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide?
4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 333.84 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(ethylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106075759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).