2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide

C17H19BrN2O5S2 — CID 55973446

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O5S2/c1-3-26(22,23)16-7-5-4-6-15(16)19-17(21)12-20(2)27(24,25)14-10-8-13(18)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyBUQYEIGRBUJEHD-UHFFFAOYSA-N
MW475.39 g/mol
LogP2.50
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide (PubChem CID 55973446) has the molecular formula C17H19BrN2O5S2 and a molecular weight of 475.39 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
PubChem CID55973446
Molecular FormulaC17H19BrN2O5S2
Molecular Weight475.39 g/mol
Exact Mass473.99
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C17H19BrN2O5S2/c1-3-26(22,23)16-7-5-4-6-15(16)19-17(21)12-20(2)27(24,25)14-10-8-13(18)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,21)
InChIKeyBUQYEIGRBUJEHD-UHFFFAOYSA-N
XLogP2.50
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-chlorophenyl)acetamide
CID 1281147
2-[benzenesulfonyl(methyl)amino]-N-(2,5-dibromophenyl)acetamide
CID 46404289
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 18191893
2-[(4-bromophenyl)sulfonyl-methylamino]-N-propylacetamide
CID 2190609
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797738
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 27254891
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-naphthalen-1-ylacetamide
CID 1329391
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide (CID 55973446) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide?
The InChIKey is BUQYEIGRBUJEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O5S2/c1-3-26(22,23)16-7-5-4-6-15(16)19-17(21)12-20(2)27(24,25)14-10-8-13(18)9-11-14/h4-11H,3,12H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide has a molecular weight of 475.39 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(2-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 55973446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).