N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide

C17H19FN2O5S2 — CID 57430469

IUPACN-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C17H19FN2O5S2/c1-12-3-6-16(26(22,23)15-7-4-14(18)5-8-15)11-17(12)27(24,25)20-10-9-19-13(2)21/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyPMTVOCIYFGLMQU-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.38
Rot. Bonds7

About N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide

N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide (PubChem CID 57430469) has the molecular formula C17H19FN2O5S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
PubChem CID57430469
Molecular FormulaC17H19FN2O5S2
Molecular Weight414.48 g/mol
Exact Mass414.07
IUPAC NameN-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide
SMILESCC(=O)NCCNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C
InChIInChI=1S/C17H19FN2O5S2/c1-12-3-6-16(26(22,23)15-7-4-14(18)5-8-15)11-17(12)27(24,25)20-10-9-19-13(2)21/h3-8,11,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyPMTVOCIYFGLMQU-UHFFFAOYSA-N
XLogP1.38
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979112
N-[2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 107326734
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
2-[(4-fluorophenyl)sulfonylamino]ethylurea
CID 78994332
N-[2-[(2-amino-5-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 62146789
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
N-[2-[[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]ethyl]acetamide
CID 107650672
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide (CID 57430469) is N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide is CC(=O)NCCNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(F)cc2)ccc1C.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide?
The InChIKey is PMTVOCIYFGLMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S2/c1-12-3-6-16(26(22,23)15-7-4-14(18)5-8-15)11-17(12)27(24,25)20-10-9-19-13(2)21/h3-8,11,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide?
N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)sulfonyl-2-methylphenyl]sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 57430469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).