N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine

C8H11NO3S — CID 71371695

IUPACN-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
SMILESCc1ccc(S(=O)(=O)CNO)cc1
InChIInChI=1S/C8H11NO3S/c1-7-2-4-8(5-3-7)13(11,12)6-9-10/h2-5,9-10H,6H2,1H3
InChIKeyZERCYKLNVDBCBK-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.71
Rot. Bonds3

About N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine

N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine (PubChem CID 71371695) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
PubChem CID71371695
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC NameN-[(4-methylphenyl)sulfonylmethyl]hydroxylamine
SMILESCc1ccc(S(=O)(=O)CNO)cc1
InChIInChI=1S/C8H11NO3S/c1-7-2-4-8(5-3-7)13(11,12)6-9-10/h2-5,9-10H,6H2,1H3
InChIKeyZERCYKLNVDBCBK-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)sulfonylmethylthiourea
CID 15864848
ethane;1-ethylsulfonyl-4-methylbenzene
CID 142583091
N-hydroxy-3-(4-methylphenyl)sulfonylpropanamide
CID 167574068
N-[(4-methylphenyl)sulfonylmethyl]benzenesulfonamide
CID 23452751
2-(4-methylphenyl)sulfonylethanesulfonic acid
CID 21412922
1-butyl-3-[(4-methylphenyl)sulfonylmethyl]urea
CID 102138486
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
ethane;(4-methylphenyl)sulfonylmethylazanium
CID 145005108
N-(2-fluoroprop-2-enyl)-4-methylbenzenesulfonamide
CID 16723470
N-(hydroxymethyl)-4-methylbenzenesulfonamide;methane
CID 161281270
2-(4-methylphenyl)sulfonylacetyl bromide
CID 71420756

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine?
The IUPAC name of N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine (CID 71371695) is N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine.
What is the SMILES notation for N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine?
The canonical SMILES for N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine is Cc1ccc(S(=O)(=O)CNO)cc1.
What is the InChIKey of N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine?
The InChIKey is ZERCYKLNVDBCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-7-2-4-8(5-3-7)13(11,12)6-9-10/h2-5,9-10H,6H2,1H3.
What are the key properties of N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine?
N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine has a molecular weight of 201.25 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)sulfonylmethyl]hydroxylamine is sourced from PubChem (CID 71371695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).