N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide

C13H8BrCl2NOS — CID 107033057

IUPACN-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8BrCl2NOS/c14-10-3-1-7(15)5-12(10)17-13(18)9-6-8(19)2-4-11(9)16/h1-6,19H,(H,17,18)
InChIKeyQYXLYMLKOLTFSD-UHFFFAOYSA-N
MW377.09 g/mol
LogP5.30
Rot. Bonds2

About N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide

N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide (PubChem CID 107033057) has the molecular formula C13H8BrCl2NOS and a molecular weight of 377.09 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
PubChem CID107033057
Molecular FormulaC13H8BrCl2NOS
Molecular Weight377.09 g/mol
Exact Mass374.89
IUPAC NameN-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
SMILESO=C(Nc1cc(Cl)ccc1Br)c1cc(S)ccc1Cl
InChIInChI=1S/C13H8BrCl2NOS/c14-10-3-1-7(15)5-12(10)17-13(18)9-6-8(19)2-4-11(9)16/h1-6,19H,(H,17,18)
InChIKeyQYXLYMLKOLTFSD-UHFFFAOYSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.09
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-chlorophenyl)-2-chloro-5-hydroxybenzamide
CID 106501145
N-(2-bromo-5-chlorophenyl)-2-sulfanylbenzamide
CID 107033062
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzamide
CID 81271772
2,4-dibromo-N-(2-bromo-5-chlorophenyl)benzamide
CID 114018389
N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
CID 107025028
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-amino-N-(2-bromo-5-chlorophenyl)benzamide
CID 81263172
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
CID 114259361
2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
CID 107032754

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide (CID 107033057) is N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide is O=C(Nc1cc(Cl)ccc1Br)c1cc(S)ccc1Cl.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide?
The InChIKey is QYXLYMLKOLTFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2NOS/c14-10-3-1-7(15)5-12(10)17-13(18)9-6-8(19)2-4-11(9)16/h1-6,19H,(H,17,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide?
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide has a molecular weight of 377.09 g/mol, XLogP of 5.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide is sourced from PubChem (CID 107033057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).