5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

C13H22ClN3O3S — CID 106056423

IUPAC5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-17(7-8-20-2)6-5-16-21(18,19)13-9-11(10-15)3-4-12(13)14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyWVSSKFKNCSURGM-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.66
Rot. Bonds9

About 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 106056423) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID106056423
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1cc(CN)ccc1Cl
InChIInChI=1S/C13H22ClN3O3S/c1-17(7-8-20-2)6-5-16-21(18,19)13-9-11(10-15)3-4-12(13)14/h3-4,9,16H,5-8,10,15H2,1-2H3
InChIKeyWVSSKFKNCSURGM-UHFFFAOYSA-N
XLogP0.66
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 106053951
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62842731
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62843792
5-(aminomethyl)-2-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115327519
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
2-chloro-5-(methylaminomethyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 106055614
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62850287
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175
4-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 106996912
5,6-dichloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 64607272
5-(aminomethyl)-2-chloro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102915813

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (CID 106056423) is 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1cc(CN)ccc1Cl.
What is the InChIKey of 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is WVSSKFKNCSURGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-17(7-8-20-2)6-5-16-21(18,19)13-9-11(10-15)3-4-12(13)14/h3-4,9,16H,5-8,10,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 106056423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).