N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide

C14H11Br2NOS — CID 107025028

IUPACN-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br2NOS/c1-8-2-4-10(19)7-11(8)14(18)17-13-6-9(15)3-5-12(13)16/h2-7,19H,1H3,(H,17,18)
InChIKeyUBQYNUHCCJUQAA-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.06
Rot. Bonds2

About N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide

N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide (PubChem CID 107025028) has the molecular formula C14H11Br2NOS and a molecular weight of 401.12 g/mol. Its IUPAC name is N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
PubChem CID107025028
Molecular FormulaC14H11Br2NOS
Molecular Weight401.12 g/mol
Exact Mass398.89
IUPAC NameN-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br2NOS/c1-8-2-4-10(19)7-11(8)14(18)17-13-6-9(15)3-5-12(13)16/h2-7,19H,1H3,(H,17,18)
InChIKeyUBQYNUHCCJUQAA-UHFFFAOYSA-N
XLogP5.06
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.06
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-(2,5-dibromophenyl)-2-methylbenzamide
CID 47167937
N-(2-bromo-5-chlorophenyl)-2-chloro-5-sulfanylbenzamide
CID 107033057
2-bromo-N-(3-bromo-4-methylphenyl)-5-sulfanylbenzamide
CID 107029742
2-methyl-5-sulfanyl-N-(2,4,5-trifluorophenyl)benzamide
CID 107028630
2-bromo-N-(2,3-dimethylphenyl)-5-sulfanylbenzamide
CID 107021458
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068
5-amino-N-(2,5-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 103296247
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
2-amino-4-bromo-N-(2-bromo-5-methylphenyl)benzamide
CID 82757217
N-(2-fluoro-4-methylphenyl)-2-methyl-5-sulfanylbenzamide
CID 107021979
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
2,5-dibromo-N-(2,5-dimethylphenyl)benzamide
CID 114370020

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide?
The IUPAC name of N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide (CID 107025028) is N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide.
What is the SMILES notation for N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide?
The canonical SMILES for N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)Nc1cc(Br)ccc1Br.
What is the InChIKey of N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide?
The InChIKey is UBQYNUHCCJUQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NOS/c1-8-2-4-10(19)7-11(8)14(18)17-13-6-9(15)3-5-12(13)16/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide?
N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide has a molecular weight of 401.12 g/mol, XLogP of 5.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dibromophenyl)-2-methyl-5-sulfanylbenzamide is sourced from PubChem (CID 107025028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).