2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide

C20H17F7N2O4S — CID 122622646

IUPAC2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C20H17F7N2O4S/c21-16-10-13(6-7-15(16)18(31,19(22,23)24)20(25,26)27)28-17(30)9-11-2-1-3-14(8-11)34(32,33)29-12-4-5-12/h1-3,6-8,10,12,29,31H,4-5,9H2,(H,28,30)
InChIKeyZSBBFPKAMFKGGV-UHFFFAOYSA-N
MW514.42 g/mol
LogP3.76
Rot. Bonds7

About 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide

2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide (PubChem CID 122622646) has the molecular formula C20H17F7N2O4S and a molecular weight of 514.42 g/mol. Its IUPAC name is 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
PubChem CID122622646
Molecular FormulaC20H17F7N2O4S
Molecular Weight514.42 g/mol
Exact Mass514.08
IUPAC Name2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide
SMILESO=C(Cc1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C20H17F7N2O4S/c21-16-10-13(6-7-15(16)18(31,19(22,23)24)20(25,26)27)28-17(30)9-11-2-1-3-14(8-11)34(32,33)29-12-4-5-12/h1-3,6-8,10,12,29,31H,4-5,9H2,(H,28,30)
InChIKeyZSBBFPKAMFKGGV-UHFFFAOYSA-N
XLogP3.76
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.42
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(cyclopropylsulfamoyl)phenyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 122622704
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[5-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methoxyphenyl]acetamide
CID 122622703
2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide;2-[6-(cyclopropylmethylsulfonyl)-3-pyridinyl]-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methylphenyl]acetamide
CID 162136993
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 38140750
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 24582409
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
5-chloro-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 43347060
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-[3-[3-(cyclopropylsulfamoyl)anilino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24655241

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide (CID 122622646) is 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide is O=C(Cc1cccc(S(=O)(=O)NC2CC2)c1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1.
What is the InChIKey of 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
The InChIKey is ZSBBFPKAMFKGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F7N2O4S/c21-16-10-13(6-7-15(16)18(31,19(22,23)24)20(25,26)27)28-17(30)9-11-2-1-3-14(8-11)34(32,33)29-12-4-5-12/h1-3,6-8,10,12,29,31H,4-5,9H2,(H,28,30).
What are the key properties of 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide?
2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide has a molecular weight of 514.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylsulfamoyl)phenyl]-N-[3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]acetamide is sourced from PubChem (CID 122622646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).