2-bromo-1-chloro-4-(sulfinatoamino)benzene

C6H4BrClNO2S- — CID 158482877

IUPAC2-bromo-1-chloro-4-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H5BrClNO2S/c7-5-3-4(9-12(10)11)1-2-6(5)8/h1-3,9H,(H,10,11)/p-1
InChIKeyBEYNZDZPATWWKT-UHFFFAOYSA-M
MW269.53 g/mol
LogP2.31
Rot. Bonds2

About 2-bromo-1-chloro-4-(sulfinatoamino)benzene

2-bromo-1-chloro-4-(sulfinatoamino)benzene (PubChem CID 158482877) has the molecular formula C6H4BrClNO2S- and a molecular weight of 269.53 g/mol. Its IUPAC name is 2-bromo-1-chloro-4-(sulfinatoamino)benzene.

Molecular Properties

Compound Name2-bromo-1-chloro-4-(sulfinatoamino)benzene
PubChem CID158482877
Molecular FormulaC6H4BrClNO2S-
Molecular Weight269.53 g/mol
Exact Mass267.88
IUPAC Name2-bromo-1-chloro-4-(sulfinatoamino)benzene
SMILESO=S([O-])Nc1ccc(Cl)c(Br)c1
InChIInChI=1S/C6H5BrClNO2S/c7-5-3-4(9-12(10)11)1-2-6(5)8/h1-3,9H,(H,10,11)/p-1
InChIKeyBEYNZDZPATWWKT-UHFFFAOYSA-M
XLogP2.31
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.53
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
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N-(3-bromo-4-chlorophenyl)thian-4-amine
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3-bromo-4-chloro-N-(3-fluoropropyl)aniline
CID 81107325
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
N-(3-bromo-4-chlorophenyl)-2-chloropyridin-4-amine
CID 102824308
5-[(3-bromo-4-chloroanilino)methyl]pyrrolidin-2-one
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3-bromo-4-chloro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928854
N-(3-bromo-4-chlorophenyl)-N'-tert-butylethane-1,2-diamine
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1-(aminomethyl)-2-fluoro-4-(sulfinatoamino)benzene
CID 69098891

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-4-(sulfinatoamino)benzene?
The IUPAC name of 2-bromo-1-chloro-4-(sulfinatoamino)benzene (CID 158482877) is 2-bromo-1-chloro-4-(sulfinatoamino)benzene.
What is the SMILES notation for 2-bromo-1-chloro-4-(sulfinatoamino)benzene?
The canonical SMILES for 2-bromo-1-chloro-4-(sulfinatoamino)benzene is O=S([O-])Nc1ccc(Cl)c(Br)c1.
What is the InChIKey of 2-bromo-1-chloro-4-(sulfinatoamino)benzene?
The InChIKey is BEYNZDZPATWWKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5BrClNO2S/c7-5-3-4(9-12(10)11)1-2-6(5)8/h1-3,9H,(H,10,11)/p-1.
What are the key properties of 2-bromo-1-chloro-4-(sulfinatoamino)benzene?
2-bromo-1-chloro-4-(sulfinatoamino)benzene has a molecular weight of 269.53 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-4-(sulfinatoamino)benzene is sourced from PubChem (CID 158482877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).