3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide

C19H13Br2N3O2S — CID 155512311

IUPAC3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C19H13Br2N3O2S/c20-12-4-6-17-15(9-12)16-10-13(21)5-7-18(16)24(17)27(25,26)14-3-1-2-11(8-14)19(22)23/h1-10H,(H3,22,23)
InChIKeyGAZBWLVUVUVGGE-UHFFFAOYSA-N
MW507.21 g/mol
LogP4.84
Rot. Bonds3

About 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide

3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide (PubChem CID 155512311) has the molecular formula C19H13Br2N3O2S and a molecular weight of 507.21 g/mol. Its IUPAC name is 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide
PubChem CID155512311
Molecular FormulaC19H13Br2N3O2S
Molecular Weight507.21 g/mol
Exact Mass504.91
IUPAC Name3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(Br)ccc32)c1
InChIInChI=1S/C19H13Br2N3O2S/c20-12-4-6-17-15(9-12)16-10-13(21)5-7-18(16)24(17)27(25,26)14-3-1-2-11(8-14)19(22)23/h1-10H,(H3,22,23)
InChIKeyGAZBWLVUVUVGGE-UHFFFAOYSA-N
XLogP4.84
TPSA88.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.21
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide (CID 155512311) is 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(S(=O)(=O)n2c3ccc(Br)cc3c3cc(Br)ccc32)c1.
What is the InChIKey of 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide?
The InChIKey is GAZBWLVUVUVGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N3O2S/c20-12-4-6-17-15(9-12)16-10-13(21)5-7-18(16)24(17)27(25,26)14-3-1-2-11(8-14)19(22)23/h1-10H,(H3,22,23).
What are the key properties of 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide?
3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide has a molecular weight of 507.21 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dibromocarbazol-9-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 155512311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).