[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite

C13H9BrClNOS — CID 21148482

IUPAC[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(SCl)cc1
InChIInChI=1S/C13H9BrClNOS/c14-10-3-5-11(6-4-10)16-13(17)9-1-7-12(18-15)8-2-9/h1-8H,(H,16,17)
InChIKeyGWAVLUKMNGGSGB-UHFFFAOYSA-N
MW342.65 g/mol
LogP4.95
Rot. Bonds3

About [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite

[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite (PubChem CID 21148482) has the molecular formula C13H9BrClNOS and a molecular weight of 342.65 g/mol. Its IUPAC name is [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite.

Molecular Properties

Compound Name[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
PubChem CID21148482
Molecular FormulaC13H9BrClNOS
Molecular Weight342.65 g/mol
Exact Mass340.93
IUPAC Name[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(SCl)cc1
InChIInChI=1S/C13H9BrClNOS/c14-10-3-5-11(6-4-10)16-13(17)9-1-7-12(18-15)8-2-9/h1-8H,(H,16,17)
InChIKeyGWAVLUKMNGGSGB-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.65
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
CID 18270594
potassium 4-[(4-bromobenzoyl)amino]benzoate
CID 144812194
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
4-bromo-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 50882091
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
4-bromo-N-(3-bromo-4-hydroxyphenyl)benzamide
CID 3482679

Frequently Asked Questions

What is the IUPAC name of [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite?
The IUPAC name of [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite (CID 21148482) is [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite.
What is the SMILES notation for [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite?
The canonical SMILES for [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite is O=C(Nc1ccc(Br)cc1)c1ccc(SCl)cc1.
What is the InChIKey of [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite?
The InChIKey is GWAVLUKMNGGSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrClNOS/c14-10-3-5-11(6-4-10)16-13(17)9-1-7-12(18-15)8-2-9/h1-8H,(H,16,17).
What are the key properties of [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite?
[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite has a molecular weight of 342.65 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite is sourced from PubChem (CID 21148482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).