N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

C21H24F3N3O3S — CID 17458180

IUPACN-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1
InChIInChI=1S/C21H24F3N3O3S/c1-14(28)25-17-8-10-18(11-9-17)31(29,30)27-20-13-15(21(22,23)24)7-12-19(20)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H,25,28)
InChIKeyZNROPCVFWUCHRX-UHFFFAOYSA-N
MW455.50 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 17458180) has the molecular formula C21H24F3N3O3S and a molecular weight of 455.50 g/mol. Its IUPAC name is N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID17458180
Molecular FormulaC21H24F3N3O3S
Molecular Weight455.50 g/mol
Exact Mass455.15
IUPAC NameN-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1
InChIInChI=1S/C21H24F3N3O3S/c1-14(28)25-17-8-10-18(11-9-17)31(29,30)27-20-13-15(21(22,23)24)7-12-19(20)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H,25,28)
InChIKeyZNROPCVFWUCHRX-UHFFFAOYSA-N
XLogP5.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.50
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
3-acetamido-4-(cyclohexylamino)benzenesulfonic acid
CID 154273658
4-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 24591397
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
N-[2-methyl-5-(trifluoromethyl)phenyl]cycloheptanamine
CID 66479132
2-[(4-cyclohexylphenyl)sulfonylamino]-5-(trifluoromethyl)benzoic acid
CID 171356961
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 8009827
N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 55537416

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide (CID 17458180) is N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1.
What is the InChIKey of N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is ZNROPCVFWUCHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3S/c1-14(28)25-17-8-10-18(11-9-17)31(29,30)27-20-13-15(21(22,23)24)7-12-19(20)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H,25,28).
What are the key properties of N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 455.50 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 17458180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).