(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane

C11H15BrClNOS2 — CID 160531768

IUPAC(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cc1Br.S
InChIInChI=1S/C11H13BrClNOS.H2S/c1-11(2,3)16(15)14-7-8-4-5-9(13)6-10(8)12;/h4-7H,1-3H3;1H2/t16-;/m1./s1
InChIKeyQVQHBNMBGHCLTQ-PKLMIRHRSA-N
MW356.74 g/mol
LogP4.10
Rot. Bonds2

About (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane

(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane (PubChem CID 160531768) has the molecular formula C11H15BrClNOS2 and a molecular weight of 356.74 g/mol. Its IUPAC name is (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane.

Molecular Properties

Compound Name(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
PubChem CID160531768
Molecular FormulaC11H15BrClNOS2
Molecular Weight356.74 g/mol
Exact Mass354.95
IUPAC Name(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane
SMILESCC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cc1Br.S
InChIInChI=1S/C11H13BrClNOS.H2S/c1-11(2,3)16(15)14-7-8-4-5-9(13)6-10(8)12;/h4-7H,1-3H3;1H2/t16-;/m1./s1
InChIKeyQVQHBNMBGHCLTQ-PKLMIRHRSA-N
XLogP4.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 70993658
(NE,R)-N-[[2-bromo-4-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 171666358
(R)-N-[(2-bromo-5-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530767
(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 118953601
(S)-N-[(5-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150204962
N-[(3-bromo-2-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337602
(S)-N-[(5-bromo-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530717
(NE,S)-N-[(2-bromo-5-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71725992
(NE,S)-N-[(3-bromo-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337443
(R)-N-[[2-bromo-5-(trifluoromethyl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 167530770
(R)-N-[[2-bromo-4-(4-methylpiperazin-1-yl)phenyl]methylidene]-2-methylpropane-2-sulfinamide
CID 178014108
(R)-N-[(4-bromo-3-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530704

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane?
The IUPAC name of (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane (CID 160531768) is (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane.
What is the SMILES notation for (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane?
The canonical SMILES for (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane is CC(C)(C)[S@@](=O)N=Cc1ccc(Cl)cc1Br.S.
What is the InChIKey of (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane?
The InChIKey is QVQHBNMBGHCLTQ-PKLMIRHRSA-N. The full InChI is InChI=1S/C11H13BrClNOS.H2S/c1-11(2,3)16(15)14-7-8-4-5-9(13)6-10(8)12;/h4-7H,1-3H3;1H2/t16-;/m1./s1.
What are the key properties of (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane?
(R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane has a molecular weight of 356.74 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2-bromo-4-chlorophenyl)methylidene]-2-methylpropane-2-sulfinamide;sulfane is sourced from PubChem (CID 160531768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).