4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide

C10H14Cl2N2O3S — CID 43590962

IUPAC4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-2-17-4-3-14-18(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyQHLFBEOQYQMQJY-UHFFFAOYSA-N
MW313.21 g/mol
LogP1.89
Rot. Bonds6

About 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide (PubChem CID 43590962) has the molecular formula C10H14Cl2N2O3S and a molecular weight of 313.21 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
PubChem CID43590962
Molecular FormulaC10H14Cl2N2O3S
Molecular Weight313.21 g/mol
Exact Mass312.01
IUPAC Name4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
SMILESCCOCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2O3S/c1-2-17-4-3-14-18(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3
InChIKeyQHLFBEOQYQMQJY-UHFFFAOYSA-N
XLogP1.89
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
3,5-dichloro-4-ethylsulfonylaniline
CID 106891277
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
4-(aminomethyl)-2-chloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 113370382
4-amino-2,6-dichloro-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515168
5-amino-N-(3-ethoxypropyl)-2,3-dimethylbenzenesulfonamide
CID 28519081
5-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64608939
2-amino-4,6-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 43255658

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide (CID 43590962) is 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide is CCOCCNS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide?
The InChIKey is QHLFBEOQYQMQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2O3S/c1-2-17-4-3-14-18(15,16)10-8(11)5-7(13)6-9(10)12/h5-6,14H,2-4,13H2,1H3.
What are the key properties of 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide has a molecular weight of 313.21 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 43590962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).