N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

C17H14F6N2O4S — CID 24538040

IUPACN-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O4S/c18-16(19,20)11-2-1-3-14(10-11)30(27,28)24-9-8-15(26)25-12-4-6-13(7-5-12)29-17(21,22)23/h1-7,10,24H,8-9H2,(H,25,26)
InChIKeyXKQVSDKGMCEEQG-UHFFFAOYSA-N
MW456.36 g/mol
LogP3.91
Rot. Bonds7

About N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (PubChem CID 24538040) has the molecular formula C17H14F6N2O4S and a molecular weight of 456.36 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
PubChem CID24538040
Molecular FormulaC17H14F6N2O4S
Molecular Weight456.36 g/mol
Exact Mass456.06
IUPAC NameN-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H14F6N2O4S/c18-16(19,20)11-2-1-3-14(10-11)30(27,28)24-9-8-15(26)25-12-4-6-13(7-5-12)29-17(21,22)23/h1-7,10,24H,8-9H2,(H,25,26)
InChIKeyXKQVSDKGMCEEQG-UHFFFAOYSA-N
XLogP3.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 3300002
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 17192578
methyl N-[4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]phenyl]carbamate
CID 55855713
N-(2,4-difluorophenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 24639452
N-benzyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 26534767
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 62667844
2-chloro-4-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanoylamino]benzamide
CID 55641818
N-[2-(methylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119503433
(1-anilino-1-oxopropan-2-yl) 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42969305
2-methoxyethyl 3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 43050757
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoylamino]acetic acid
CID 119350481
N-[3-(methylamino)propyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119433256

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide (CID 24538040) is N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
The InChIKey is XKQVSDKGMCEEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N2O4S/c18-16(19,20)11-2-1-3-14(10-11)30(27,28)24-9-8-15(26)25-12-4-6-13(7-5-12)29-17(21,22)23/h1-7,10,24H,8-9H2,(H,25,26).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide?
N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide has a molecular weight of 456.36 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide is sourced from PubChem (CID 24538040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).