6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole

C13H9F3N2O2S — CID 68927625

IUPAC6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
SMILESO=S(O)Nc1ccc2[nH]c3cc(C(F)(F)F)ccc3c2c1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)7-1-3-9-10-6-8(18-21(19)20)2-4-11(10)17-12(9)5-7/h1-6,17-18H,(H,19,20)
InChIKeyMGCKKJGNNPKWSD-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.89
Rot. Bonds2

About 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole

6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole (PubChem CID 68927625) has the molecular formula C13H9F3N2O2S and a molecular weight of 314.29 g/mol. Its IUPAC name is 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole.

Molecular Properties

Compound Name6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
PubChem CID68927625
Molecular FormulaC13H9F3N2O2S
Molecular Weight314.29 g/mol
Exact Mass314.03
IUPAC Name6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole
SMILESO=S(O)Nc1ccc2[nH]c3cc(C(F)(F)F)ccc3c2c1
InChIInChI=1S/C13H9F3N2O2S/c14-13(15,16)7-1-3-9-10-6-8(18-21(19)20)2-4-11(10)17-12(9)5-7/h1-6,17-18H,(H,19,20)
InChIKeyMGCKKJGNNPKWSD-UHFFFAOYSA-N
XLogP3.89
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole?
The IUPAC name of 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole (CID 68927625) is 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole.
What is the SMILES notation for 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole?
The canonical SMILES for 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole is O=S(O)Nc1ccc2[nH]c3cc(C(F)(F)F)ccc3c2c1.
What is the InChIKey of 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole?
The InChIKey is MGCKKJGNNPKWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2S/c14-13(15,16)7-1-3-9-10-6-8(18-21(19)20)2-4-11(10)17-12(9)5-7/h1-6,17-18H,(H,19,20).
What are the key properties of 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole?
6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole has a molecular weight of 314.29 g/mol, XLogP of 3.89, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(sulfinoamino)-2-(trifluoromethyl)-9H-carbazole is sourced from PubChem (CID 68927625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).