(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate

C15H14BrNO4S — CID 46670152

IUPAC(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-17-22(19,20)14-8-4-12(5-9-14)15(18)21-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeySALMUNUIXXYIEP-UHFFFAOYSA-N
MW384.25 g/mol
LogP2.71
Rot. Bonds5

About (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate

(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate (PubChem CID 46670152) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
PubChem CID46670152
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Name(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H14BrNO4S/c1-17-22(19,20)14-8-4-12(5-9-14)15(18)21-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3
InChIKeySALMUNUIXXYIEP-UHFFFAOYSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-bromophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 46663557
(4-bromophenyl)methyl 4-(methylamino)benzoate
CID 104698988
benzyl 4-(4-bromophenyl)sulfonyloxybenzoate
CID 2296255
benzyl 4-bromobenzoate
CID 603177
propan-2-yl 4-[(4-bromobenzoyl)oxymethyl]benzoate
CID 1305384
4-O-[(4-bromophenyl)methyl] 1-O-butyl benzene-1,4-dicarboxylate
CID 91733678
(4-bromophenyl)methyl pyridine-4-carboxylate
CID 1094796
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
ethyl 4-(4-bromophenyl)sulfonyloxybenzoate
CID 40554211
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
(4-bromophenyl)methyl 2-bromo-5-(propan-2-ylsulfamoyl)benzoate
CID 2498167
(4-bromophenyl)methyl 4-[(2-methoxyphenoxy)methyl]benzoate
CID 126187152

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate?
The IUPAC name of (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate (CID 46670152) is (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate.
What is the SMILES notation for (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate?
The canonical SMILES for (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate?
The InChIKey is SALMUNUIXXYIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-17-22(19,20)14-8-4-12(5-9-14)15(18)21-10-11-2-6-13(16)7-3-11/h2-9,17H,10H2,1H3.
What are the key properties of (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate?
(4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate has a molecular weight of 384.25 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 4-(methylsulfamoyl)benzoate is sourced from PubChem (CID 46670152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).