2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C16H17BrN2O3S2 — CID 4639270

IUPAC2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)cc1Br
InChIInChI=1S/C16H17BrN2O3S2/c1-10-7-15(11(2)6-14(10)17)23-9-16(20)19-12-4-3-5-13(8-12)24(18,21)22/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyPHXYERYQTRQJGD-UHFFFAOYSA-N
MW429.36 g/mol
LogP3.44
Rot. Bonds5

About 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 4639270) has the molecular formula C16H17BrN2O3S2 and a molecular weight of 429.36 g/mol. Its IUPAC name is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID4639270
Molecular FormulaC16H17BrN2O3S2
Molecular Weight429.36 g/mol
Exact Mass427.99
IUPAC Name2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)cc1Br
InChIInChI=1S/C16H17BrN2O3S2/c1-10-7-15(11(2)6-14(10)17)23-9-16(20)19-12-4-3-5-13(8-12)24(18,21)22/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22)
InChIKeyPHXYERYQTRQJGD-UHFFFAOYSA-N
XLogP3.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)sulfonyl]-N-(2-ethylphenyl)propanamide
CID 3457957
3-[(4-bromophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3457958
3-[(4-bromophenyl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 4293413
3-[(4-bromophenyl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 1343016
3-(4-bromophenyl)sulfonyl-N-(3-ethylphenyl)propanamide
CID 4104622
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 5091819
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 2110175
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2529576
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 3277106
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(2,4-difluorophenyl)acetamide
CID 3593093
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 32153391
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-fluoro-5-methylsulfonylphenyl)acetamide
CID 34188677

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 4639270) is 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1cc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)c(C)cc1Br.
What is the InChIKey of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is PHXYERYQTRQJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S2/c1-10-7-15(11(2)6-14(10)17)23-9-16(20)19-12-4-3-5-13(8-12)24(18,21)22/h3-8H,9H2,1-2H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 429.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,5-dimethylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 4639270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).