2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

C15H15BrN2O3S2 — CID 5091800

IUPAC2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15BrN2O3S2/c1-10-7-11(16)5-6-14(10)22-9-15(19)18-12-3-2-4-13(8-12)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyRDZFLZZZRZMRHF-UHFFFAOYSA-N
MW415.33 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide

2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (PubChem CID 5091800) has the molecular formula C15H15BrN2O3S2 and a molecular weight of 415.33 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
PubChem CID5091800
Molecular FormulaC15H15BrN2O3S2
Molecular Weight415.33 g/mol
Exact Mass413.97
IUPAC Name2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SMILESCc1cc(Br)ccc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H15BrN2O3S2/c1-10-7-11(16)5-6-14(10)22-9-15(19)18-12-3-2-4-13(8-12)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyRDZFLZZZRZMRHF-UHFFFAOYSA-N
XLogP3.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(methylsulfamoyl)phenyl]acetamide
CID 24635386
2-(2-amino-4-bromophenyl)sulfanyl-N-(3-methylphenyl)acetamide
CID 43306161
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-(hydroxymethyl)phenyl]acetamide
CID 64793360
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27873785
2-(4-bromo-2-methylphenyl)sulfanyl-N-[4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-chlorophenyl]acetamide
CID 4844789
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 7363718
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(4-bromo-2-methylphenyl)sulfanylacetate
CID 16527772
4-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-N-methylbenzamide
CID 27872538
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
2-(4-amino-2-methylphenyl)sulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 43303062

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide (CID 5091800) is 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is Cc1cc(Br)ccc1SCC(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
The InChIKey is RDZFLZZZRZMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S2/c1-10-7-11(16)5-6-14(10)22-9-15(19)18-12-3-2-4-13(8-12)23(17,20)21/h2-8H,9H2,1H3,(H,18,19)(H2,17,20,21).
What are the key properties of 2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide?
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide has a molecular weight of 415.33 g/mol, XLogP of 3.14, 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-methylphenyl)sulfanyl-N-(3-sulfamoylphenyl)acetamide is sourced from PubChem (CID 5091800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).