4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

C14H13BrN2OS — CID 114905157

IUPAC4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C14H13BrN2OS/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyDACGWLCBQYATLY-UHFFFAOYSA-N
MW337.24 g/mol
LogP3.89
Rot. Bonds4

About 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide

4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (PubChem CID 114905157) has the molecular formula C14H13BrN2OS and a molecular weight of 337.24 g/mol. Its IUPAC name is 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
PubChem CID114905157
Molecular FormulaC14H13BrN2OS
Molecular Weight337.24 g/mol
Exact Mass335.99
IUPAC Name4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Br)cc1Sc1ccc(OC)cc1
InChIInChI=1S/C14H13BrN2OS/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17)
InChIKeyDACGWLCBQYATLY-UHFFFAOYSA-N
XLogP3.89
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
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'}

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Related Compounds

4-methoxy-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81302483
4-bromo-2-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 114905215
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597
2-(3-methoxyphenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306987
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
[4-bromo-2-(4-methoxyphenyl)sulfanylphenyl]methanol
CID 63812767
4-methoxy-2-propan-2-ylsulfanylbenzenecarboximidamide
CID 81302880
2-ethylsulfanyl-4-methoxybenzenecarboximidamide
CID 81303342
4-bromo-1-(4-methoxyphenyl)sulfanyl-2-methylbenzene
CID 91877415
4-chloro-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 55179845
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide (CID 114905157) is 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Br)cc1Sc1ccc(OC)cc1.
What is the InChIKey of 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is DACGWLCBQYATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2OS/c1-18-10-3-5-11(6-4-10)19-13-8-9(15)2-7-12(13)14(16)17/h2-8H,1H3,(H3,16,17).
What are the key properties of 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide?
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 337.24 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 114905157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).