N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide

C18H23BrN2OS — CID 123300953

IUPACN-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN(C(c1ccccc1)c1cc(Br)ccc1N)S(=O)C(C)(C)C
InChIInChI=1S/C18H23BrN2OS/c1-18(2,3)23(22)21(4)17(13-8-6-5-7-9-13)15-12-14(19)10-11-16(15)20/h5-12,17H,20H2,1-4H3
InChIKeyJUCZLAZPLFDCMQ-UHFFFAOYSA-N
MW395.37 g/mol
LogP4.51
Rot. Bonds4

About N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide

N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (PubChem CID 123300953) has the molecular formula C18H23BrN2OS and a molecular weight of 395.37 g/mol. Its IUPAC name is N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
PubChem CID123300953
Molecular FormulaC18H23BrN2OS
Molecular Weight395.37 g/mol
Exact Mass394.07
IUPAC NameN-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide
SMILESCN(C(c1ccccc1)c1cc(Br)ccc1N)S(=O)C(C)(C)C
InChIInChI=1S/C18H23BrN2OS/c1-18(2,3)23(22)21(4)17(13-8-6-5-7-9-13)15-12-14(19)10-11-16(15)20/h5-12,17H,20H2,1-4H3
InChIKeyJUCZLAZPLFDCMQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The IUPAC name of N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide (CID 123300953) is N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide.
What is the SMILES notation for N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The canonical SMILES for N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is CN(C(c1ccccc1)c1cc(Br)ccc1N)S(=O)C(C)(C)C.
What is the InChIKey of N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
The InChIKey is JUCZLAZPLFDCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2OS/c1-18(2,3)23(22)21(4)17(13-8-6-5-7-9-13)15-12-14(19)10-11-16(15)20/h5-12,17H,20H2,1-4H3.
What are the key properties of N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide?
N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide has a molecular weight of 395.37 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-5-bromophenyl)-phenylmethyl]-N,2-dimethylpropane-2-sulfinamide is sourced from PubChem (CID 123300953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).