N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine

C20H20N2O3S — CID 5188418

IUPACN-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine
SMILESCc1ccc(S(O)(O)Nc2ccccc2C(=NO)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-11-13-17(14-12-15)26(24,25)22-19-10-6-5-9-18(19)20(21-23)16-7-3-2-4-8-16/h2-14,22-25H,1H3
InChIKeyANCVHOYZKBSKSD-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.36
Rot. Bonds5

About N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine

N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine (PubChem CID 5188418) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine
PubChem CID5188418
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine
SMILESCc1ccc(S(O)(O)Nc2ccccc2C(=NO)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O3S/c1-15-11-13-17(14-12-15)26(24,25)22-19-10-6-5-9-18(19)20(21-23)16-7-3-2-4-8-16/h2-14,22-25H,1H3
InChIKeyANCVHOYZKBSKSD-UHFFFAOYSA-N
XLogP5.36
TPSA85.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.36
H-Bond Donors ≤ 54
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

(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
1-[2-[(E)-N-hydroxy-C-(4-methylphenyl)carbonimidoyl]phenyl]-3-phenylpropane-1,3-dione
CID 11783265
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
4-methylbenzenesulfonic acid;N-(1-phenylethylidene)hydroxylamine
CID 87376058
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014
(E)-N-[2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenyl]-3-phenylprop-2-enamide
CID 10617276
phenyl 2-[(4-methylphenyl)sulfonylamino]benzoate
CID 154135516
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
4-methylbenzenesulfonic acid;phthalic acid
CID 87829306
4-methyl-N-[2-[C-methyl-N-[3-[1-[2-[(4-methylphenyl)sulfonylamino]phenyl]ethylideneamino]propyl]carbonimidoyl]phenyl]benzenesulfonamide
CID 12049289

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine?
The IUPAC name of N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine (CID 5188418) is N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine.
What is the SMILES notation for N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine?
The canonical SMILES for N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine is Cc1ccc(S(O)(O)Nc2ccccc2C(=NO)c2ccccc2)cc1.
What is the InChIKey of N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine?
The InChIKey is ANCVHOYZKBSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-15-11-13-17(14-12-15)26(24,25)22-19-10-6-5-9-18(19)20(21-23)16-7-3-2-4-8-16/h2-14,22-25H,1H3.
What are the key properties of N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine?
N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine has a molecular weight of 368.46 g/mol, XLogP of 5.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]amino]phenyl]-phenylmethylidene]hydroxylamine is sourced from PubChem (CID 5188418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).