4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C15H15BrN2OS — CID 114484073

IUPAC4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CSc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2OS/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyQQJDQJNTDNUKGD-UHFFFAOYSA-N
MW351.27 g/mol
LogP4.14
Rot. Bonds4

About 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide

4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 114484073) has the molecular formula C15H15BrN2OS and a molecular weight of 351.27 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID114484073
Molecular FormulaC15H15BrN2OS
Molecular Weight351.27 g/mol
Exact Mass350.01
IUPAC Name4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cc(/C(N)=N/O)ccc1CSc1ccc(Br)cc1
InChIInChI=1S/C15H15BrN2OS/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18)
InChIKeyQQJDQJNTDNUKGD-UHFFFAOYSA-N
XLogP4.14
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-bromophenyl)sulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 54933782
4-(ethylsulfanylmethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484067
N'-hydroxy-3-methyl-4-[(2-methylfuran-3-yl)sulfanylmethyl]benzenecarboximidamide
CID 107780335
N'-hydroxy-4-(1-hydroxypropan-2-ylsulfanylmethyl)-3-methylbenzenecarboximidamide
CID 114484122
4-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]benzoic acid
CID 114479218
4-[(2,4-dibromophenoxy)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114483303
4-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114484111
N'-hydroxy-3-methyl-4-[(4-methylsulfanylphenoxy)methyl]benzenecarboximidamide
CID 114483292
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482544
N'-hydroxy-3-methyl-4-(propoxymethyl)benzenecarboximidamide
CID 114483267
4-(azidomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 154501666
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2-methylphenyl]-2-methylpropanoate
CID 174501519

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 114484073) is 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cc(/C(N)=N/O)ccc1CSc1ccc(Br)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is QQJDQJNTDNUKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2OS/c1-10-8-11(15(17)18-19)2-3-12(10)9-20-14-6-4-13(16)5-7-14/h2-8,19H,9H2,1H3,(H2,17,18).
What are the key properties of 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 351.27 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfanylmethyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 114484073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).