2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C17H20BrN3O5S2 — CID 1314108

IUPAC2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C17H20BrN3O5S2/c1-20(27(2,23)24)16-6-4-5-14(11-16)19-17(22)12-21(28(3,25)26)15-9-7-13(18)8-10-15/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyZHUHCJNCERPQLK-UHFFFAOYSA-N
MW490.40 g/mol
LogP2.25
Rot. Bonds7

About 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1314108) has the molecular formula C17H20BrN3O5S2 and a molecular weight of 490.40 g/mol. Its IUPAC name is 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1314108
Molecular FormulaC17H20BrN3O5S2
Molecular Weight490.40 g/mol
Exact Mass489.00
IUPAC Name2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCN(c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1)S(C)(=O)=O
InChIInChI=1S/C17H20BrN3O5S2/c1-20(27(2,23)24)16-6-4-5-14(11-16)19-17(22)12-21(28(3,25)26)15-9-7-13(18)8-10-15/h4-11H,12H2,1-3H3,(H,19,22)
InChIKeyZHUHCJNCERPQLK-UHFFFAOYSA-N
XLogP2.25
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2111546
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 2974731
2-(3-bromo-N-methylsulfonylanilino)-N-(4-bromophenyl)acetamide
CID 30168807
4-[[2-(3-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259268
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 4841035
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
N-(3-bromophenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 1082278
2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 126137609
2-(N-(4-chlorophenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1317361
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1315993
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
4-[[2-(4-bromoanilino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide
CID 30259369

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1314108) is 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is CN(c1cccc(NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1)S(C)(=O)=O.
What is the InChIKey of 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is ZHUHCJNCERPQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O5S2/c1-20(27(2,23)24)16-6-4-5-14(11-16)19-17(22)12-21(28(3,25)26)15-9-7-13(18)8-10-15/h4-11H,12H2,1-3H3,(H,19,22).
What are the key properties of 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 490.40 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1314108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).