2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

C12H20ClN3O3S — CID 62842731

IUPAC2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H20ClN3O3S/c1-16(8-9-19-2)7-6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6-9,14H2,1-2H3
InChIKeyGCQWLAMFDNVSLK-UHFFFAOYSA-N
MW321.83 g/mol
LogP0.78
Rot. Bonds8

About 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62842731) has the molecular formula C12H20ClN3O3S and a molecular weight of 321.83 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62842731
Molecular FormulaC12H20ClN3O3S
Molecular Weight321.83 g/mol
Exact Mass321.09
IUPAC Name2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H20ClN3O3S/c1-16(8-9-19-2)7-6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6-9,14H2,1-2H3
InChIKeyGCQWLAMFDNVSLK-UHFFFAOYSA-N
XLogP0.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62844834
2-amino-6-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62977744
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
5-(aminomethyl)-2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106056423
2-amino-6-chloro-N-octylbenzenesulfonamide
CID 115565998
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
3-chloro-1-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 104834477
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106056406
3-chloro-2-(methoxymethylsulfonyl)aniline
CID 81182200
3-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 79885175

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (CID 62842731) is 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is GCQWLAMFDNVSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3S/c1-16(8-9-19-2)7-6-15-20(17,18)12-10(13)4-3-5-11(12)14/h3-5,15H,6-9,14H2,1-2H3.
What are the key properties of 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 321.83 g/mol, XLogP of 0.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62842731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).