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

C27H21BrCl2N2O3S2 — CID 126371967

IUPAC2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H21BrCl2N2O3S2/c28-20-11-14-23(15-12-20)37(34,35)32(17-19-10-13-21(29)16-24(19)30)18-27(33)31-25-8-4-5-9-26(25)36-22-6-2-1-3-7-22/h1-16H,17-18H2,(H,31,33)
InChIKeyRMGWTIJZRDQJDR-UHFFFAOYSA-N
MW636.42 g/mol
LogP7.74
Rot. Bonds9

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

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 126371967) has the molecular formula C27H21BrCl2N2O3S2 and a molecular weight of 636.42 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID126371967
Molecular FormulaC27H21BrCl2N2O3S2
Molecular Weight636.42 g/mol
Exact Mass633.96
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C27H21BrCl2N2O3S2/c28-20-11-14-23(15-12-20)37(34,35)32(17-19-10-13-21(29)16-24(19)30)18-27(33)31-25-8-4-5-9-26(25)36-22-6-2-1-3-7-22/h1-16H,17-18H2,(H,31,33)
InChIKeyRMGWTIJZRDQJDR-UHFFFAOYSA-N
XLogP7.74
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.42
LogP ≤ 57.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126371762
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 21372976
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126317339
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 126371825
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
CID 126371780
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126079248
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 21372993
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 126371963
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126096666

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide (CID 126371967) is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is RMGWTIJZRDQJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrCl2N2O3S2/c28-20-11-14-23(15-12-20)37(34,35)32(17-19-10-13-21(29)16-24(19)30)18-27(33)31-25-8-4-5-9-26(25)36-22-6-2-1-3-7-22/h1-16H,17-18H2,(H,31,33).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 636.42 g/mol, XLogP of 7.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 126371967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).