2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide

C14H13ClN2OS — CID 55152258

IUPAC2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(Sc2ccc(/C(N)=N/O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-2-4-10(7-9)19-11-5-6-12(13(15)8-11)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyVIRQSNLHIDDJLV-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide

2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 55152258) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
PubChem CID55152258
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
SMILESCc1cccc(Sc2ccc(/C(N)=N/O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2OS/c1-9-3-2-4-10(7-9)19-11-5-6-12(13(15)8-11)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyVIRQSNLHIDDJLV-UHFFFAOYSA-N
XLogP3.89
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.89
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'}

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Related Compounds

3-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 76984290
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 76981642
4-(4-chlorophenyl)sulfanyl-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277840
N'-hydroxy-2-methyl-4-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 81281971
3-fluoro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 61244530
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
4-chloro-N'-hydroxy-2-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 76984999
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide (CID 55152258) is 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide is Cc1cccc(Sc2ccc(/C(N)=N/O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is VIRQSNLHIDDJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-9-3-2-4-10(7-9)19-11-5-6-12(13(15)8-11)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide?
2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 292.79 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 55152258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).