(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide

C13H14BrF2NOS — CID 145298779

IUPAC(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C1/c2ccc(Br)cc2CC1(F)F
InChIInChI=1S/C13H14BrF2NOS/c1-12(2,3)19(18)17-11-10-5-4-9(14)6-8(10)7-13(11,15)16/h4-6H,7H2,1-3H3/b17-11-
InChIKeyTVXATNPYYBZKEK-BOPFTXTBSA-N
MW350.23 g/mol
LogP3.89
Rot. Bonds1

About (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide

(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide (PubChem CID 145298779) has the molecular formula C13H14BrF2NOS and a molecular weight of 350.23 g/mol. Its IUPAC name is (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide
PubChem CID145298779
Molecular FormulaC13H14BrF2NOS
Molecular Weight350.23 g/mol
Exact Mass348.99
IUPAC Name(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C1/c2ccc(Br)cc2CC1(F)F
InChIInChI=1S/C13H14BrF2NOS/c1-12(2,3)19(18)17-11-10-5-4-9(14)6-8(10)7-13(11,15)16/h4-6H,7H2,1-3H3/b17-11-
InChIKeyTVXATNPYYBZKEK-BOPFTXTBSA-N
XLogP3.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide?
The IUPAC name of (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide (CID 145298779) is (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C1/c2ccc(Br)cc2CC1(F)F.
What is the InChIKey of (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide?
The InChIKey is TVXATNPYYBZKEK-BOPFTXTBSA-N. The full InChI is InChI=1S/C13H14BrF2NOS/c1-12(2,3)19(18)17-11-10-5-4-9(14)6-8(10)7-13(11,15)16/h4-6H,7H2,1-3H3/b17-11-.
What are the key properties of (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide?
(NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide has a molecular weight of 350.23 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(5-bromo-2,2-difluoro-3H-inden-1-ylidene)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 145298779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).