N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide

C14H12Br2N2O3S — CID 26952572

IUPACN-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br2N2O3S/c1-9(19)17-11-3-2-4-12(8-11)18-22(20,21)14-7-10(15)5-6-13(14)16/h2-8,18H,1H3,(H,17,19)
InChIKeyGDXZLYOPBFMLOZ-UHFFFAOYSA-N
MW448.14 g/mol
LogP3.97
Rot. Bonds4

About N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide

N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 26952572) has the molecular formula C14H12Br2N2O3S and a molecular weight of 448.14 g/mol. Its IUPAC name is N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
PubChem CID26952572
Molecular FormulaC14H12Br2N2O3S
Molecular Weight448.14 g/mol
Exact Mass445.89
IUPAC NameN-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1
InChIInChI=1S/C14H12Br2N2O3S/c1-9(19)17-11-3-2-4-12(8-11)18-22(20,21)14-7-10(15)5-6-13(14)16/h2-8,18H,1H3,(H,17,19)
InChIKeyGDXZLYOPBFMLOZ-UHFFFAOYSA-N
XLogP3.97
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.14
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(5-bromo-2-methylphenyl)sulfonylamino]phenyl]urea
CID 36511162
[3-[(2-bromophenyl)sulfonylamino]phenyl]urea
CID 36510716
1-[3-[(2-bromophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36512082
N-cyclopropyl-3-[(2,5-dibromophenyl)sulfonylamino]benzamide
CID 26489644
2,5-dibromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide
CID 64794052
N-[3-[(4-iodophenyl)sulfonylamino]phenyl]acetamide
CID 3874122
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2,5-dibromo-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide
CID 64781653
N-(3-acetylphenyl)-5-bromo-2-ethoxybenzenesulfonamide
CID 2126237
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]acetamide
CID 4816692
N-(3-amino-4-ethylphenyl)-2,5-dibromobenzenesulfonamide
CID 43551086
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide (CID 26952572) is N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2Br)c1.
What is the InChIKey of N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is GDXZLYOPBFMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O3S/c1-9(19)17-11-3-2-4-12(8-11)18-22(20,21)14-7-10(15)5-6-13(14)16/h2-8,18H,1H3,(H,17,19).
What are the key properties of N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide?
N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 448.14 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dibromophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 26952572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).