4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide

C14H10BrCl2NOS — CID 107019931

IUPAC4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2S)c1Cl
InChIInChI=1S/C14H10BrCl2NOS/c1-7-2-5-10(16)13(12(7)17)18-14(19)9-4-3-8(15)6-11(9)20/h2-6,20H,1H3,(H,18,19)
InChIKeySTXAXWLJGQSFLD-UHFFFAOYSA-N
MW391.12 g/mol
LogP5.61
Rot. Bonds2

About 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide

4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide (PubChem CID 107019931) has the molecular formula C14H10BrCl2NOS and a molecular weight of 391.12 g/mol. Its IUPAC name is 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
PubChem CID107019931
Molecular FormulaC14H10BrCl2NOS
Molecular Weight391.12 g/mol
Exact Mass388.90
IUPAC Name4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide
SMILESCc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2S)c1Cl
InChIInChI=1S/C14H10BrCl2NOS/c1-7-2-5-10(16)13(12(7)17)18-14(19)9-4-3-8(15)6-11(9)20/h2-6,20H,1H3,(H,18,19)
InChIKeySTXAXWLJGQSFLD-UHFFFAOYSA-N
XLogP5.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.12
LogP ≤ 55.61
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

2-amino-4-bromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 79714079
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
3,5-dibromo-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 107979976
4-amino-N-(2,6-dichloro-3-methylphenyl)-3-methylbenzamide
CID 29273488
2-chloro-N-(2,6-dichloro-3-methylphenyl)furan-3-carboxamide
CID 106685178
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
CID 107021994
4-amino-3,5-dichloro-N-(2,6-dichloro-3-methylphenyl)benzamide
CID 82811367
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
5-bromo-2-chloro-N-(2,6-dichloro-4-methyl-3-pyridinyl)benzamide
CID 103738286
2-amino-4-bromo-N-(3-chloro-4-methylphenyl)benzamide
CID 79714244
6-bromo-N-(2,6-dichloro-3-methylphenyl)pyridine-3-carboxamide
CID 66462872

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide (CID 107019931) is 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide is Cc1ccc(Cl)c(NC(=O)c2ccc(Br)cc2S)c1Cl.
What is the InChIKey of 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide?
The InChIKey is STXAXWLJGQSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2NOS/c1-7-2-5-10(16)13(12(7)17)18-14(19)9-4-3-8(15)6-11(9)20/h2-6,20H,1H3,(H,18,19).
What are the key properties of 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide?
4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide has a molecular weight of 391.12 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,6-dichloro-3-methylphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107019931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).