1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide

C20H13F11N2O3S — CID 19685211

IUPAC1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc2)cc1
InChIInChI=1S/C20H13F11N2O3S/c1-10-2-8-13(9-3-10)37(35,36)33-12-6-4-11(5-7-12)32-14(34)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-9,33H,1H3,(H,32,34)
InChIKeyHSURHBFOMYCDMV-UHFFFAOYSA-N
MW570.38 g/mol
LogP5.63
Rot. Bonds5

About 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide

1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide (PubChem CID 19685211) has the molecular formula C20H13F11N2O3S and a molecular weight of 570.38 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide
PubChem CID19685211
Molecular FormulaC20H13F11N2O3S
Molecular Weight570.38 g/mol
Exact Mass570.05
IUPAC Name1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc2)cc1
InChIInChI=1S/C20H13F11N2O3S/c1-10-2-8-13(9-3-10)37(35,36)33-12-6-4-11(5-7-12)32-14(34)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-9,33H,1H3,(H,32,34)
InChIKeyHSURHBFOMYCDMV-UHFFFAOYSA-N
XLogP5.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.38
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
3-methylidene-1-N,2-N-bis[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropane-1,2-dicarboxamide
CID 5216824
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
2-(4-acetamidophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 55377318
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
4-(bromomethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 65481186
2-ethyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]butanamide
CID 1291155

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide (CID 19685211) is 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C3(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc2)cc1.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide?
The InChIKey is HSURHBFOMYCDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F11N2O3S/c1-10-2-8-13(9-3-10)37(35,36)33-12-6-4-11(5-7-12)32-14(34)15(21)16(22,23)18(26,27)20(30,31)19(28,29)17(15,24)25/h2-9,33H,1H3,(H,32,34).
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide?
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide has a molecular weight of 570.38 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 19685211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).