4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide

C15H14BrNOS — CID 107021257

IUPAC4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Br)cc2S)cc1
InChIInChI=1S/C15H14BrNOS/c1-2-10-3-6-12(7-4-10)17-15(18)13-8-5-11(16)9-14(13)19/h3-9,19H,2H2,1H3,(H,17,18)
InChIKeyIQYNYPNBZWRAKE-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.55
Rot. Bonds3

About 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide

4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide (PubChem CID 107021257) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
PubChem CID107021257
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide
SMILESCCc1ccc(NC(=O)c2ccc(Br)cc2S)cc1
InChIInChI=1S/C15H14BrNOS/c1-2-10-3-6-12(7-4-10)17-15(18)13-8-5-11(16)9-14(13)19/h3-9,19H,2H2,1H3,(H,17,18)
InChIKeyIQYNYPNBZWRAKE-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.55
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-bromo-N-(4-ethoxyphenyl)-2-sulfanylbenzamide
CID 107019834
4-bromo-N-(3-ethoxyphenyl)-2-sulfanylbenzamide
CID 107025832
4-bromo-2-sulfanyl-N-thiophen-3-ylbenzamide
CID 107031810
4-bromo-N-(3-chloro-4-fluorophenyl)-2-sulfanylbenzamide
CID 107021994
4-bromo-N-(4-bromo-2,6-dimethylphenyl)-2-sulfanylbenzamide
CID 107031288
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
3-bromo-5-chloro-N-(4-ethylphenyl)benzamide
CID 107951503
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
2-amino-4-chloro-N-(4-ethylphenyl)benzamide
CID 28605488
2-methoxyethyl 4-bromo-2-sulfanylbenzoate
CID 107018497

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide?
The IUPAC name of 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide (CID 107021257) is 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide.
What is the SMILES notation for 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide?
The canonical SMILES for 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide is CCc1ccc(NC(=O)c2ccc(Br)cc2S)cc1.
What is the InChIKey of 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide?
The InChIKey is IQYNYPNBZWRAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-2-10-3-6-12(7-4-10)17-15(18)13-8-5-11(16)9-14(13)19/h3-9,19H,2H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide?
4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide has a molecular weight of 336.25 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-ethylphenyl)-2-sulfanylbenzamide is sourced from PubChem (CID 107021257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).