N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

C16H16BrClN2O3S — CID 2224277

IUPACN-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-2-20(24(22,23)15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyUPEPCWVVCGIKLO-UHFFFAOYSA-N
MW431.74 g/mol
LogP3.75
Rot. Bonds6

About N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide

N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (PubChem CID 2224277) has the molecular formula C16H16BrClN2O3S and a molecular weight of 431.74 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
PubChem CID2224277
Molecular FormulaC16H16BrClN2O3S
Molecular Weight431.74 g/mol
Exact Mass429.98
IUPAC NameN-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16BrClN2O3S/c1-2-20(24(22,23)15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyUPEPCWVVCGIKLO-UHFFFAOYSA-N
XLogP3.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2,4-dichlorophenyl)acetamide
CID 3950421
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
ethyl 2-[4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100795929
ethyl 2-[4-[[2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetyl]amino]phenyl]acetate
CID 100792965
butyl 4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45372656
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 45371878
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126065599
N-(2-benzoyl-4-chlorophenyl)-2-[(4-bromophenyl)sulfonyl-ethylamino]acetamide
CID 45372673

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide (CID 2224277) is N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
The InChIKey is UPEPCWVVCGIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3S/c1-2-20(24(22,23)15-9-5-13(18)6-10-15)11-16(21)19-14-7-3-12(17)4-8-14/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide?
N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide has a molecular weight of 431.74 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 2224277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).