3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline

C8H10BrIN2OS — CID 164656022

IUPAC3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline
SMILES[H]N=S(=O)(CC)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C8H10BrIN2OS/c1-2-14(11,13)12-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyLDNQAHUIXBAFED-UHFFFAOYSA-N
MW389.06 g/mol
LogP3.45
Rot. Bonds3

About 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline

3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline (PubChem CID 164656022) has the molecular formula C8H10BrIN2OS and a molecular weight of 389.06 g/mol. Its IUPAC name is 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline.

Molecular Properties

Compound Name3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline
PubChem CID164656022
Molecular FormulaC8H10BrIN2OS
Molecular Weight389.06 g/mol
Exact Mass387.87
IUPAC Name3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline
SMILES[H]N=S(=O)(CC)Nc1ccc(I)c(Br)c1
InChIInChI=1S/C8H10BrIN2OS/c1-2-14(11,13)12-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3,(H2,11,12,13)
InChIKeyLDNQAHUIXBAFED-UHFFFAOYSA-N
XLogP3.45
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-iodophenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 114262255
methyl 2-[(3-bromo-4-iodophenyl)sulfamoyl]propanoate
CID 114262200
3-bromo-4-iodo-N-propylaniline
CID 130499837
4-[(3-bromo-4-iodophenyl)sulfamoyl]butanoic acid
CID 114261899
1-(3-bromo-4-iodoanilino)butan-2-ol
CID 130499884
N-(4-iodo-3-methylphenyl)ethanesulfonamide
CID 57319537
N-(3-bromo-4-fluorophenyl)ethanesulfonamide
CID 104779628
3-bromo-4-iodo-N-(5-methylheptan-3-yl)aniline
CID 114261964
2-bromo-N-(3-bromo-4-iodophenyl)propanamide
CID 130499859
2-bromo-4-(dimethylsulfamoylamino)-1-methylbenzene
CID 63334388
N-(4-bromo-3-iodophenyl)-1-cyanomethanesulfonamide
CID 130498705
(2S)-2-amino-N-(3-bromo-4-iodophenyl)propanamide
CID 130163220

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline?
The IUPAC name of 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline (CID 164656022) is 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline.
What is the SMILES notation for 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline?
The canonical SMILES for 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline is [H]N=S(=O)(CC)Nc1ccc(I)c(Br)c1.
What is the InChIKey of 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline?
The InChIKey is LDNQAHUIXBAFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrIN2OS/c1-2-14(11,13)12-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3,(H2,11,12,13).
What are the key properties of 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline?
3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline has a molecular weight of 389.06 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(ethylsulfonimidoyl)-4-iodoaniline is sourced from PubChem (CID 164656022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).