1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide

C21H23F3N2O3S — CID 3263192

IUPAC1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1
InChIInChI=1S/C21H23F3N2O3S/c1-20(11-3-2-4-12-20)19(27)25-16-8-6-10-18(14-16)30(28,29)26-17-9-5-7-15(13-17)21(22,23)24/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyRTSYBQURJCTBPV-UHFFFAOYSA-N
MW440.49 g/mol
LogP5.42
Rot. Bonds5

About 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide

1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 3263192) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
PubChem CID3263192
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1
InChIInChI=1S/C21H23F3N2O3S/c1-20(11-3-2-4-12-20)19(27)25-16-8-6-10-18(14-16)30(28,29)26-17-9-5-7-15(13-17)21(22,23)24/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyRTSYBQURJCTBPV-UHFFFAOYSA-N
XLogP5.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]furan-2-carboxamide
CID 39154493
N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 4875220
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-methyl-N-[3-(methylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 63130562
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
4-nitro-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593345
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
1-methyl-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 173043060
2-[4-(trifluoromethyl)phenyl]-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 3249921
N-methoxy-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 33101820

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide (CID 3263192) is 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide is CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCCC1.
What is the InChIKey of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is RTSYBQURJCTBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-20(11-3-2-4-12-20)19(27)25-16-8-6-10-18(14-16)30(28,29)26-17-9-5-7-15(13-17)21(22,23)24/h5-10,13-14,26H,2-4,11-12H2,1H3,(H,25,27).
What are the key properties of 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide?
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 440.49 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 3263192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).