2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide

C13H10BrClN2S — CID 62494952

IUPAC2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrClN2S/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,(H3,16,17)
InChIKeyJRBUJWIOSPKXAO-UHFFFAOYSA-N
MW341.66 g/mol
LogP4.54
Rot. Bonds3

About 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide

2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide (PubChem CID 62494952) has the molecular formula C13H10BrClN2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
PubChem CID62494952
Molecular FormulaC13H10BrClN2S
Molecular Weight341.66 g/mol
Exact Mass339.94
IUPAC Name2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1Br
InChIInChI=1S/C13H10BrClN2S/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,(H3,16,17)
InChIKeyJRBUJWIOSPKXAO-UHFFFAOYSA-N
XLogP4.54
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-chloro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495109
1-bromo-2-(2-bromophenyl)sulfanyl-4-chlorobenzene
CID 177169783
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
5-chloro-2-[(2-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 103288569
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
5-chloro-2-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114790495
2-(2-bromophenyl)sulfanyl-4-chloroaniline
CID 115469523
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]benzenecarboximidamide
CID 63537455
5-chloro-2-(1-methylimidazol-2-yl)sulfanylbenzenecarboximidamide
CID 62493763
5-fluoro-2-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 63667491
3-(2-bromophenyl)sulfanylpyrazine-2-carboximidamide
CID 62685598

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide (CID 62494952) is 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1Sc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide?
The InChIKey is JRBUJWIOSPKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2S/c14-10-3-1-2-4-12(10)18-11-6-5-8(15)7-9(11)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide?
2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide has a molecular weight of 341.66 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-5-chlorobenzenecarboximidamide is sourced from PubChem (CID 62494952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).