5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13ClN2OS — CID 62495109

IUPAC5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1OC
InChIInChI=1S/C14H13ClN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyPCTDAJPIFNTPKZ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.78
Rot. Bonds4

About 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide

5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 62495109) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID62495109
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1OC
InChIInChI=1S/C14H13ClN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyPCTDAJPIFNTPKZ-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

5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
CID 62494952
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
3-chloro-2-(2-methoxyphenyl)sulfanylpyridine-4-carboximidamide
CID 107060943
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 63537455
5-chloro-2-(1-phenylethoxy)benzenecarboximidamide
CID 62494768
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 62493763
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 62495109) is 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1OC.
What is the InChIKey of 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is PCTDAJPIFNTPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-18-11-4-2-3-5-13(11)19-12-7-6-9(15)8-10(12)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide?
5-chloro-2-(2-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 5-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 62495109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).