2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13ClN2OS — CID 62495530

IUPAC2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1ccc(OC)cc1
InChIInChI=1S/C14H13ClN2OS/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyVRQYNVFWVPSRQH-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 62495530) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID62495530
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1Sc1ccc(OC)cc1
InChIInChI=1S/C14H13ClN2OS/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyVRQYNVFWVPSRQH-UHFFFAOYSA-N
XLogP3.78
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.78
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'}

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Related Compounds

4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 62496202
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
2-chloro-6-(4-methoxyphenyl)sulfanylbenzaldehyde
CID 59509334
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
CID 63752459
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanylbenzenecarboximidamide
CID 55079659
2-fluoro-6-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 79517932
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63804574
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 62495530) is 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1Sc1ccc(OC)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is VRQYNVFWVPSRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-18-9-5-7-10(8-6-9)19-12-4-2-3-11(15)13(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 292.79 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 62495530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).