(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide

C17H19BrN2OS — CID 125499883

IUPAC(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C17H19BrN2OS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-11-13(18)9-10-15(14)19/h4-11H,19H2,1-3H3/t22-/m0/s1
InChIKeyUXVZHQBWYJWOSV-QFIPXVFZSA-N
MW379.32 g/mol
LogP4.33
Rot. Bonds3

About (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide

(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide (PubChem CID 125499883) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
PubChem CID125499883
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC Name(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)[S@](=O)N=C(c1ccccc1)c1cc(Br)ccc1N
InChIInChI=1S/C17H19BrN2OS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-11-13(18)9-10-15(14)19/h4-11H,19H2,1-3H3/t22-/m0/s1
InChIKeyUXVZHQBWYJWOSV-QFIPXVFZSA-N
XLogP4.33
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ,R)-N-[(2-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide;hydrate
CID 139091459
4-bromo-2-(C-phenylcarbonohydrazonoyl)aniline
CID 625740
N-[(2-amino-5-bromophenyl)-phenylmethylidene]hydroxylamine
CID 555684
4-bromo-2-(C,N-diphenylcarbonimidoyl)aniline
CID 3577590
(NE)-N-[(3-bromophenyl)-(4-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 71680686
(R)-N-[1-(5-bromo-2-chlorophenyl)ethylidene]-2-methylpropane-2-sulfinamide
CID 118305806
(NE,S)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 11492289
(R)-2-methyl-N-(1-phenylethylidene)propane-2-sulfinamide
CID 129382914
(S)-N-(2,2-dimethyl-1-phenylpropylidene)-2-methylpropane-2-sulfinamide
CID 123778184
(R)-N-[1-(5-bromo-2-fluorophenyl)-2,2,2-trifluoroethylidene]-2-methylpropane-2-sulfinamide
CID 86715725
(NZ)-N-[(5-bromo-2-fluorophenyl)-(2-cyano-3-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 58579495
(NZ)-N-[1-(5-bromo-2-fluorophenyl)-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 87096337

Frequently Asked Questions

What is the IUPAC name of (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide (CID 125499883) is (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)[S@](=O)N=C(c1ccccc1)c1cc(Br)ccc1N.
What is the InChIKey of (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is UXVZHQBWYJWOSV-QFIPXVFZSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c1-17(2,3)22(21)20-16(12-7-5-4-6-8-12)14-11-13(18)9-10-15(14)19/h4-11H,19H2,1-3H3/t22-/m0/s1.
What are the key properties of (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide?
(S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 379.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(2-amino-5-bromophenyl)-phenylmethylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 125499883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).