2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide

C12H17F3N4O5S2 — CID 166213486

IUPAC2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O5S2/c13-12(14,15)9-19-26(23,24)17-7-6-16-11(20)8-18-25(21,22)10-4-2-1-3-5-10/h1-5,17-19H,6-9H2,(H,16,20)
InChIKeyJMJRQUKMBLCKRH-UHFFFAOYSA-N
MW418.42 g/mol
LogP-0.93
Rot. Bonds10

About 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide

2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide (PubChem CID 166213486) has the molecular formula C12H17F3N4O5S2 and a molecular weight of 418.42 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide
PubChem CID166213486
Molecular FormulaC12H17F3N4O5S2
Molecular Weight418.42 g/mol
Exact Mass418.06
IUPAC Name2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C12H17F3N4O5S2/c13-12(14,15)9-19-26(23,24)17-7-6-16-11(20)8-18-25(21,22)10-4-2-1-3-5-10/h1-5,17-19H,6-9H2,(H,16,20)
InChIKeyJMJRQUKMBLCKRH-UHFFFAOYSA-N
XLogP-0.93
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55547144
2-(benzenesulfonamido)-N-(2-morpholin-4-ylethyl)acetamide
CID 110285207
2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
N-[2-(benzenesulfonamido)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119704261
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
CID 66166438
N-[2-(benzenesulfonamido)ethyl]-2-pyrrolidin-1-ylacetamide
CID 2190794
4-phenyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 3734615
4-[[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]butanoic acid
CID 119170505
N-[2-(ethylamino)ethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 119509116

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide (CID 166213486) is 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide is O=C(CNS(=O)(=O)c1ccccc1)NCCNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide?
The InChIKey is JMJRQUKMBLCKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O5S2/c13-12(14,15)9-19-26(23,24)17-7-6-16-11(20)8-18-25(21,22)10-4-2-1-3-5-10/h1-5,17-19H,6-9H2,(H,16,20).
What are the key properties of 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide?
2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide has a molecular weight of 418.42 g/mol, XLogP of -0.93, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[2-(2,2,2-trifluoroethylsulfamoylamino)ethyl]acetamide is sourced from PubChem (CID 166213486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).