N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide

C10H15ClN2O3S — CID 55173525

IUPACN-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-2-16-5-6-17(14,15)13-10-7-8(12)3-4-9(10)11/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyORVJADGVJZSZAF-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.70
Rot. Bonds6

About N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide

N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide (PubChem CID 55173525) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
PubChem CID55173525
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC NameN-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
SMILESCCOCCS(=O)(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C10H15ClN2O3S/c1-2-16-5-6-17(14,15)13-10-7-8(12)3-4-9(10)11/h3-4,7,13H,2,5-6,12H2,1H3
InChIKeyORVJADGVJZSZAF-UHFFFAOYSA-N
XLogP1.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.70
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

ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
3-chloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245877
N-(2-amino-4,5-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 55173913
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-(5-amino-2,4-dimethylphenyl)-2-ethoxyethanesulfonamide
CID 104757246
4-chloro-3-(3-ethoxypropylsulfonyl)aniline
CID 81200920
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
5-chloro-2-(2-ethoxyethylsulfonylamino)benzoic acid
CID 55174298
3,5-dichloro-4-(2-ethoxyethylsulfonylamino)benzenesulfonyl chloride
CID 63245920
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide
CID 89166172

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide (CID 55173525) is N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide is CCOCCS(=O)(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide?
The InChIKey is ORVJADGVJZSZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O3S/c1-2-16-5-6-17(14,15)13-10-7-8(12)3-4-9(10)11/h3-4,7,13H,2,5-6,12H2,1H3.
What are the key properties of N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide?
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide has a molecular weight of 278.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide is sourced from PubChem (CID 55173525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).