(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine

C16H14N2O3S — CID 89415724

IUPAC(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(/C=N/O)cccc32)cc1
InChIInChI=1S/C16H14N2O3S/c1-12-5-7-14(8-6-12)22(20,21)18-10-9-15-13(11-17-19)3-2-4-16(15)18/h2-11,19H,1H3/b17-11+
InChIKeyOKYYJJUAIDAXED-GZTJUZNOSA-N
MW314.37 g/mol
LogP2.99
Rot. Bonds3

About (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine

(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine (PubChem CID 89415724) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
PubChem CID89415724
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC Name(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)n2ccc3c(/C=N/O)cccc32)cc1
InChIInChI=1S/C16H14N2O3S/c1-12-5-7-14(8-6-12)22(20,21)18-10-9-15-13(11-17-19)3-2-4-16(15)18/h2-11,19H,1H3/b17-11+
InChIKeyOKYYJJUAIDAXED-GZTJUZNOSA-N
XLogP2.99
TPSA71.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)sulfonylindole-4-carbaldehyde
CID 13115093
methyl 1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 10947463
4-(bromomethyl)-1-(4-methylphenyl)sulfonylindole
CID 13044879
3-[1-(4-methylphenyl)sulfonylindol-4-yl]oxypropan-1-ol
CID 11725119
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylindol-4-yl]methanone
CID 14880458
[1-(4-methylphenyl)sulfonyl-6-phenylindol-4-yl]-phenylmethanone
CID 11626591
3-[(1E,3E)-3-methylpenta-1,3-dienyl]-1-(4-methylphenyl)sulfonylindole
CID 102180391
bromo-tributyl-[[1-(4-methylphenyl)sulfonylindol-4-yl]methyl]-λ5-phosphane
CID 13044880
1-(benzenesulfonyl)-4-[1-[4-[1-[1-(benzenesulfonyl)indol-4-yl]ethenyl]phenyl]ethenyl]indole
CID 71659596
methyl 5-[3-[(Z)-C-aminocarbonohydrazonoyl]phenoxy]-1-(4-methylphenyl)sulfonylindole-4-carboxylate
CID 167504646
tert-butyl 4-[1-(4-methylphenyl)sulfonylindol-4-yl]piperazine-1-carboxylate
CID 171771805
2-methyl-5-[[1-(4-methylphenyl)sulfonylindol-4-yl]oxymethyl]-1,3,4-oxadiazole
CID 2767805

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine (CID 89415724) is (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine is Cc1ccc(S(=O)(=O)n2ccc3c(/C=N/O)cccc32)cc1.
What is the InChIKey of (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine?
The InChIKey is OKYYJJUAIDAXED-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-12-5-7-14(8-6-12)22(20,21)18-10-9-15-13(11-17-19)3-2-4-16(15)18/h2-11,19H,1H3/b17-11+.
What are the key properties of (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine?
(NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine has a molecular weight of 314.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[1-(4-methylphenyl)sulfonylindol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 89415724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).