2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide

C14H11Br2NOS — CID 1020120

IUPAC2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-7-9(15)5-6-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyDOYMNPRHAYLETE-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.19
Rot. Bonds3

About 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide

2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 1020120) has the molecular formula C14H11Br2NOS and a molecular weight of 401.12 g/mol. Its IUPAC name is 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
PubChem CID1020120
Molecular FormulaC14H11Br2NOS
Molecular Weight401.12 g/mol
Exact Mass398.89
IUPAC Name2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H11Br2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-7-9(15)5-6-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyDOYMNPRHAYLETE-UHFFFAOYSA-N
XLogP5.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
4-bromo-2-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 9072559
2,5-dibromo-N-(3-methylphenyl)benzamide
CID 1019389
5-amino-2-bromo-4-fluoro-N-(3-methylsulfanylphenyl)benzamide
CID 62816107
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
2,5-dibromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841390
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
2,5-dibromo-N-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 114373061
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2,5-dibromo-N-(3-cyanophenyl)benzamide
CID 114369410
2,5-dibromo-N-[3-(ethylaminomethyl)phenyl]benzamide
CID 114374231
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide (CID 1020120) is 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is DOYMNPRHAYLETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NOS/c1-19-11-4-2-3-10(8-11)17-14(18)12-7-9(15)5-6-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide?
2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide has a molecular weight of 401.12 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1020120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).