2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13ClN2O2S — CID 76981642

IUPAC2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyNRLVCYHCOVKQPP-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.59
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 76981642) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID76981642
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILESCOc1ccccc1Sc1ccc(C(N)=NO)c(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17)
InChIKeyNRLVCYHCOVKQPP-UHFFFAOYSA-N
XLogP3.59
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide 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

2-bromo-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107279854
N'-hydroxy-2-(2-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 76938911
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-N'-hydroxy-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 55152258
1-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]ethanone
CID 104613424
4-(2-methoxyphenyl)sulfanyl-2-methylaniline
CID 61298004
2-[2-amino-5-(2-methoxyphenyl)sulfanylphenyl]acetamide
CID 142809517
2-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
2,3-dichloro-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 82648135
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 76981642) is 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is COc1ccccc1Sc1ccc(C(N)=NO)c(Cl)c1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is NRLVCYHCOVKQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-19-12-4-2-3-5-13(12)20-9-6-7-10(11(15)8-9)14(16)17-18/h2-8,18H,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 308.79 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 76981642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).