N-[(4-bromophenyl)methylsulfinimidoyl]aniline

C13H13BrN2S — CID 2803042

IUPACN-[(4-bromophenyl)methylsulfinimidoyl]aniline
SMILES[H]/N=S(\Cc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C13H13BrN2S/c14-12-8-6-11(7-9-12)10-17(15)16-13-4-2-1-3-5-13/h1-9H,10H2,(H2,15,16)
InChIKeyAYYBBVMTCUORMS-UHFFFAOYSA-N
MW309.23 g/mol
LogP4.36
Rot. Bonds4

About N-[(4-bromophenyl)methylsulfinimidoyl]aniline

N-[(4-bromophenyl)methylsulfinimidoyl]aniline (PubChem CID 2803042) has the molecular formula C13H13BrN2S and a molecular weight of 309.23 g/mol. Its IUPAC name is N-[(4-bromophenyl)methylsulfinimidoyl]aniline.

Molecular Properties

Compound NameN-[(4-bromophenyl)methylsulfinimidoyl]aniline
PubChem CID2803042
Molecular FormulaC13H13BrN2S
Molecular Weight309.23 g/mol
Exact Mass308.00
IUPAC NameN-[(4-bromophenyl)methylsulfinimidoyl]aniline
SMILES[H]/N=S(\Cc1ccc(Br)cc1)Nc1ccccc1
InChIInChI=1S/C13H13BrN2S/c14-12-8-6-11(7-9-12)10-17(15)16-13-4-2-1-3-5-13/h1-9H,10H2,(H2,15,16)
InChIKeyAYYBBVMTCUORMS-UHFFFAOYSA-N
XLogP4.36
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methylsulfinimidoyl]aniline?
The IUPAC name of N-[(4-bromophenyl)methylsulfinimidoyl]aniline (CID 2803042) is N-[(4-bromophenyl)methylsulfinimidoyl]aniline.
What is the SMILES notation for N-[(4-bromophenyl)methylsulfinimidoyl]aniline?
The canonical SMILES for N-[(4-bromophenyl)methylsulfinimidoyl]aniline is [H]/N=S(\Cc1ccc(Br)cc1)Nc1ccccc1.
What is the InChIKey of N-[(4-bromophenyl)methylsulfinimidoyl]aniline?
The InChIKey is AYYBBVMTCUORMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2S/c14-12-8-6-11(7-9-12)10-17(15)16-13-4-2-1-3-5-13/h1-9H,10H2,(H2,15,16).
What are the key properties of N-[(4-bromophenyl)methylsulfinimidoyl]aniline?
N-[(4-bromophenyl)methylsulfinimidoyl]aniline has a molecular weight of 309.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methylsulfinimidoyl]aniline is sourced from PubChem (CID 2803042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).