2,2-bis(benzenesulfonyl)-N-phenylacetamide

C20H17NO5S2 — CID 17339954

IUPAC2,2-bis(benzenesulfonyl)-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17NO5S2/c22-19(21-16-10-4-1-5-11-16)20(27(23,24)17-12-6-2-7-13-17)28(25,26)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)
InChIKeyISPQFRIDMZLGFO-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.90
Rot. Bonds6

About 2,2-bis(benzenesulfonyl)-N-phenylacetamide

2,2-bis(benzenesulfonyl)-N-phenylacetamide (PubChem CID 17339954) has the molecular formula C20H17NO5S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2,2-bis(benzenesulfonyl)-N-phenylacetamide.

Molecular Properties

Compound Name2,2-bis(benzenesulfonyl)-N-phenylacetamide
PubChem CID17339954
Molecular FormulaC20H17NO5S2
Molecular Weight415.49 g/mol
Exact Mass415.05
IUPAC Name2,2-bis(benzenesulfonyl)-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17NO5S2/c22-19(21-16-10-4-1-5-11-16)20(27(23,24)17-12-6-2-7-13-17)28(25,26)18-14-8-3-9-15-18/h1-15,20H,(H,21,22)
InChIKeyISPQFRIDMZLGFO-UHFFFAOYSA-N
XLogP2.90
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(benzenesulfonamido)-N-phenylpropanamide
CID 41330853
2-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 164613992
2-(1-anilino-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117074
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-(4-acetamidophenyl)-2-(benzenesulfonamido)propanamide
CID 4240198
(2R)-2-amino-N-phenylpropanamide
CID 10607114
1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
(2S)-2-benzylsulfonyl-N-phenylpropanamide
CID 51983101
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
(2R)-2-methoxy-N-phenylpropanamide
CID 11805321
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(benzenesulfonyl)-N-phenylacetamide?
The IUPAC name of 2,2-bis(benzenesulfonyl)-N-phenylacetamide (CID 17339954) is 2,2-bis(benzenesulfonyl)-N-phenylacetamide.
What is the SMILES notation for 2,2-bis(benzenesulfonyl)-N-phenylacetamide?
The canonical SMILES for 2,2-bis(benzenesulfonyl)-N-phenylacetamide is O=C(Nc1ccccc1)C(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2,2-bis(benzenesulfonyl)-N-phenylacetamide?
The InChIKey is ISPQFRIDMZLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S2/c22-19(21-16-10-4-1-5-11-16)20(27(23,24)17-12-6-2-7-13-17)28(25,26)18-14-8-3-9-15-18/h1-15,20H,(H,21,22).
What are the key properties of 2,2-bis(benzenesulfonyl)-N-phenylacetamide?
2,2-bis(benzenesulfonyl)-N-phenylacetamide has a molecular weight of 415.49 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(benzenesulfonyl)-N-phenylacetamide is sourced from PubChem (CID 17339954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).