3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide

C14H11BrClNOS — CID 107951427

IUPAC3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C14H11BrClNOS/c1-19-13-4-2-12(3-5-13)17-14(18)9-6-10(15)8-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyZIPWNMYJYJWSKX-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.08
Rot. Bonds3

About 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide

3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 107951427) has the molecular formula C14H11BrClNOS and a molecular weight of 356.67 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
PubChem CID107951427
Molecular FormulaC14H11BrClNOS
Molecular Weight356.67 g/mol
Exact Mass354.94
IUPAC Name3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1
InChIInChI=1S/C14H11BrClNOS/c1-19-13-4-2-12(3-5-13)17-14(18)9-6-10(15)8-11(16)7-9/h2-8H,1H3,(H,17,18)
InChIKeyZIPWNMYJYJWSKX-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(3-methylsulfanylphenyl)benzamide
CID 107951382
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
3-bromo-5-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 107951925
3-bromo-5-chloro-N-(3-iodo-4-methylphenyl)benzamide
CID 107951955
3-bromo-5-chloro-N-[4-(difluoromethoxy)phenyl]benzamide
CID 107951563
3-bromo-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107953792
5-[(3-bromo-5-chlorobenzoyl)amino]-2-chlorobenzoic acid
CID 107937795
3-bromo-5-chloro-N-naphthalen-2-ylbenzamide
CID 107951653
3-bromo-5-chloro-N-(6-chloro-3-pyridinyl)benzamide
CID 113286176
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
N-(3-bromo-4-fluorophenyl)-4-methylsulfanylbenzamide
CID 113245194
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide (CID 107951427) is 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2cc(Cl)cc(Br)c2)cc1.
What is the InChIKey of 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is ZIPWNMYJYJWSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNOS/c1-19-13-4-2-12(3-5-13)17-14(18)9-6-10(15)8-11(16)7-9/h2-8H,1H3,(H,17,18).
What are the key properties of 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide?
3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 356.67 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 107951427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).