4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide

C13H10BrClN2S — CID 55152641

IUPAC4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H10BrClN2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17)
InChIKeySEUPBSBIQZOXCB-UHFFFAOYSA-N
MW341.66 g/mol
LogP4.54
Rot. Bonds3

About 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide

4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide (PubChem CID 55152641) has the molecular formula C13H10BrClN2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
PubChem CID55152641
Molecular FormulaC13H10BrClN2S
Molecular Weight341.66 g/mol
Exact Mass339.94
IUPAC Name4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C13H10BrClN2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17)
InChIKeySEUPBSBIQZOXCB-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

2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
CID 107279964
2-chloro-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 62948556
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
2-chloro-4-(3-hydroxypropylsulfanyl)benzenecarboximidamide
CID 66114956
3-(3-bromophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 62804242
2-chloro-4-fluorobenzenecarboximidamide
CID 3626359
2-chloro-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)benzenecarboximidamide
CID 62947381
3-(3-chlorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515673
2-(4-carbamimidoyl-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 114233793
1-(3-bromophenyl)sulfanyl-3,5-dichlorobenzene
CID 163695952
4-[2-(4-bromophenoxy)ethoxy]-2-chlorobenzenecarboximidamide
CID 102724594
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide (CID 55152641) is 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Cl.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide?
The InChIKey is SEUPBSBIQZOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17).
What are the key properties of 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide?
4-(3-bromophenyl)sulfanyl-2-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 4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide is sourced from PubChem (CID 55152641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).