O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine

C10H14ClNO4S — CID 117448848

IUPACO-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Cl)cc(CCON)cc1S(C)(=O)=O
InChIInChI=1S/C10H14ClNO4S/c1-15-10-8(11)5-7(3-4-16-12)6-9(10)17(2,13)14/h5-6H,3-4,12H2,1-2H3
InChIKeySIUUHTBGAAQSKZ-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.18
Rot. Bonds5

About O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine

O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine (PubChem CID 117448848) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
PubChem CID117448848
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC NameO-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine
SMILESCOc1c(Cl)cc(CCON)cc1S(C)(=O)=O
InChIInChI=1S/C10H14ClNO4S/c1-15-10-8(11)5-7(3-4-16-12)6-9(10)17(2,13)14/h5-6H,3-4,12H2,1-2H3
InChIKeySIUUHTBGAAQSKZ-UHFFFAOYSA-N
XLogP1.18
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-4-methoxy-5-methylsulfonylphenyl)butan-1-amine
CID 117471300
O-[2-(4-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365224
O-[2-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117372592
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
O-[2-(4-methoxy-3,5-dimethylphenyl)ethyl]hydroxylamine
CID 83484617
O-[2-(3-methyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117330881
O-[2-(3,5-difluoro-4-methoxyphenyl)ethyl]hydroxylamine
CID 117291293
O-[2-(3-methylsulfanyl-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117407913
2-(2-aminooxyethyl)-5-chloro-6-methoxy-3-methylphenol
CID 117335463
O-[2-(5-bromo-3-chloro-2-methoxyphenyl)ethyl]hydroxylamine
CID 117450509
5-(3-chloro-4-methoxy-5-methylsulfonylphenyl)-1H-pyrazol-3-amine
CID 117485866
O-[2-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117412246

Frequently Asked Questions

What is the IUPAC name of O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine (CID 117448848) is O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine is COc1c(Cl)cc(CCON)cc1S(C)(=O)=O.
What is the InChIKey of O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine?
The InChIKey is SIUUHTBGAAQSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-15-10-8(11)5-7(3-4-16-12)6-9(10)17(2,13)14/h5-6H,3-4,12H2,1-2H3.
What are the key properties of O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine?
O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine has a molecular weight of 279.75 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(3-chloro-4-methoxy-5-methylsulfonylphenyl)ethyl]hydroxylamine is sourced from PubChem (CID 117448848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).