O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine

C8H10ClNO3S — CID 117343929

IUPACO-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCS(=O)(=O)c1cc(Cl)cc(CON)c1
InChIInChI=1S/C8H10ClNO3S/c1-14(11,12)8-3-6(5-13-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyYQOAVFADFUKNTF-UHFFFAOYSA-N
MW235.69 g/mol
LogP1.13
Rot. Bonds3

About O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine

O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine (PubChem CID 117343929) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine
PubChem CID117343929
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC NameO-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine
SMILESCS(=O)(=O)c1cc(Cl)cc(CON)c1
InChIInChI=1S/C8H10ClNO3S/c1-14(11,12)8-3-6(5-13-10)2-7(9)4-8/h2-4H,5,10H2,1H3
InChIKeyYQOAVFADFUKNTF-UHFFFAOYSA-N
XLogP1.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-5-methylsulfonylphenyl)acetic acid
CID 84706693
(E)-3-(3-chloro-5-methylsulfonylphenyl)prop-2-en-1-amine
CID 117366846
N-(3-amino-1-bicyclo[1.1.1]pentanyl)-3-chloro-5-(methoxymethyl)benzenesulfonamide
CID 166269395
ethyl 2-(3-chloro-5-methylsulfonylphenyl)-2-hydroxyacetate
CID 117472663
O-[(3-fluoro-5-methoxy-4-methylsulfonylphenyl)methyl]hydroxylamine
CID 117375508
3-chloro-N-methylidene-5-methylsulfonylbenzamide
CID 166817136
2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol
CID 117374989
(3-chloro-5-methylsulfonylphenyl)methyl 2-(4,5,6,7-tetrahydro-2H-benzotriazole-5-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 123699446
2-chloro-5-methylsulfonylbenzene-1,3-diamine
CID 130155054
1-chloro-3-(4-ethoxyphenyl)-5-methylsulfonylbenzene
CID 173278800
4-bromo-2-[(3-chloro-5-methylsulfonylphenyl)methylsulfonyl]-6-(trifluoromethoxy)phenol
CID 167547681
(3-methyl-5-methylsulfonylphenyl)methanamine
CID 143705583

Frequently Asked Questions

What is the IUPAC name of O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine?
The IUPAC name of O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine (CID 117343929) is O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine is CS(=O)(=O)c1cc(Cl)cc(CON)c1.
What is the InChIKey of O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine?
The InChIKey is YQOAVFADFUKNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c1-14(11,12)8-3-6(5-13-10)2-7(9)4-8/h2-4H,5,10H2,1H3.
What are the key properties of O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine?
O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine has a molecular weight of 235.69 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117343929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).