N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide

C14H11BrFNOS — CID 107033697

IUPACN-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(F)c(S)c2)c1
InChIInChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)12(6-8)17-14(18)9-3-5-11(16)13(19)7-9/h2-7,19H,1H3,(H,17,18)
InChIKeyASEXNGFJWJEFBJ-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.44
Rot. Bonds2

About N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide

N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107033697) has the molecular formula C14H11BrFNOS and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107033697
Molecular FormulaC14H11BrFNOS
Molecular Weight340.22 g/mol
Exact Mass338.97
IUPAC NameN-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1ccc(Br)c(NC(=O)c2ccc(F)c(S)c2)c1
InChIInChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)12(6-8)17-14(18)9-3-5-11(16)13(19)7-9/h2-7,19H,1H3,(H,17,18)
InChIKeyASEXNGFJWJEFBJ-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.44
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

4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
N-(5-bromo-2-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107023428
N-(2-bromo-5-methylphenyl)-4-methylsulfanylbenzamide
CID 82707112
3-amino-N-(2-bromo-5-methylphenyl)-4-methylbenzamide
CID 82761463
N-(2-bromo-5-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 103753535
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(2-bromo-5-methylphenyl)quinoxaline-6-carboxamide
CID 82712323
3-bromo-N-(2-bromo-5-methylphenyl)-5-methylbenzamide
CID 104851666
N-(2-bromo-5-methylphenyl)-2,4-difluorobenzamide
CID 82706445
3-amino-N-(2-bromo-5-methylphenyl)benzamide
CID 82761550

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide (CID 107033697) is N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide is Cc1ccc(Br)c(NC(=O)c2ccc(F)c(S)c2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is ASEXNGFJWJEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNOS/c1-8-2-4-10(15)12(6-8)17-14(18)9-3-5-11(16)13(19)7-9/h2-7,19H,1H3,(H,17,18).
What are the key properties of N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide?
N-(2-bromo-5-methylphenyl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 340.22 g/mol, XLogP of 4.44, 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-methylphenyl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107033697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).