methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate

C15H14BrNO4S — CID 17480748

IUPACmethyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO4S/c1-10-5-3-8-13(14(10)15(18)21-2)17-22(19,20)12-7-4-6-11(16)9-12/h3-9,17H,1-2H3
InChIKeyOBHRISOKQJXNJR-UHFFFAOYSA-N
MW384.25 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate

methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate (PubChem CID 17480748) has the molecular formula C15H14BrNO4S and a molecular weight of 384.25 g/mol. Its IUPAC name is methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
PubChem CID17480748
Molecular FormulaC15H14BrNO4S
Molecular Weight384.25 g/mol
Exact Mass382.98
IUPAC Namemethyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
SMILESCOC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C15H14BrNO4S/c1-10-5-3-8-13(14(10)15(18)21-2)17-22(19,20)12-7-4-6-11(16)9-12/h3-9,17H,1-2H3
InChIKeyOBHRISOKQJXNJR-UHFFFAOYSA-N
XLogP3.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717
3-bromo-N-(2-chloro-3-methylphenyl)benzenesulfonamide
CID 113246739
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzenesulfonamide
CID 104814612
3-bromo-N-(4-chloro-2,6-dimethylphenyl)benzenesulfonamide
CID 134247443
N-[3-[(3-bromophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 7938360
3-bromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 3708859
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
4-[(3-bromophenyl)sulfonylamino]-N-(2-methoxyphenyl)benzamide
CID 26979377
3-[(5-bromo-2-methylphenyl)sulfamoyl]benzoic acid
CID 43715694
methyl 3-[(2-iodophenyl)sulfamoyl]benzoate
CID 31699712
3-[(3-bromophenyl)sulfonylamino]-N,N,4-trimethylbenzenesulfonamide
CID 26979142

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate?
The IUPAC name of methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate (CID 17480748) is methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate.
What is the SMILES notation for methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate?
The canonical SMILES for methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate is COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate?
The InChIKey is OBHRISOKQJXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4S/c1-10-5-3-8-13(14(10)15(18)21-2)17-22(19,20)12-7-4-6-11(16)9-12/h3-9,17H,1-2H3.
What are the key properties of methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate?
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate has a molecular weight of 384.25 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate is sourced from PubChem (CID 17480748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).