2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

C22H20BrCl2N3O5S2 — CID 43874588

IUPAC2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H20BrCl2N3O5S2/c23-17-4-9-20(10-5-17)35(32,33)28(13-16-3-6-18(24)11-21(16)25)14-22(29)27-12-15-1-7-19(8-2-15)34(26,30)31/h1-11H,12-14H2,(H,27,29)(H2,26,30,31)
InChIKeyMKFAEJBGNZSJRW-UHFFFAOYSA-N
MW621.36 g/mol
LogP3.91
Rot. Bonds9

About 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 43874588) has the molecular formula C22H20BrCl2N3O5S2 and a molecular weight of 621.36 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID43874588
Molecular FormulaC22H20BrCl2N3O5S2
Molecular Weight621.36 g/mol
Exact Mass618.94
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C22H20BrCl2N3O5S2/c23-17-4-9-20(10-5-17)35(32,33)28(13-16-3-6-18(24)11-21(16)25)14-22(29)27-12-15-1-7-19(8-2-15)34(26,30)31/h1-11H,12-14H2,(H,27,29)(H2,26,30,31)
InChIKeyMKFAEJBGNZSJRW-UHFFFAOYSA-N
XLogP3.91
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874460
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874583
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126085155
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 126371825
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-sulfamoylphenyl)acetamide
CID 126074495
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
CID 126371780
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 45371878
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 126371963
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 21372976
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874511
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]acetamide
CID 100798420

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 43874588) is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is MKFAEJBGNZSJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrCl2N3O5S2/c23-17-4-9-20(10-5-17)35(32,33)28(13-16-3-6-18(24)11-21(16)25)14-22(29)27-12-15-1-7-19(8-2-15)34(26,30)31/h1-11H,12-14H2,(H,27,29)(H2,26,30,31).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 621.36 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 43874588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).