2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide

C21H24FN3O3S — CID 60582319

IUPAC2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC3c3ccccc3F)c2)CC1
InChIInChI=1S/C21H24FN3O3S/c1-24-9-11-25(12-10-24)29(27,28)16-6-4-5-15(13-16)23-21(26)19-14-18(19)17-7-2-3-8-20(17)22/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,26)
InChIKeyONGCQVXGPRLYPH-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide

2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide (PubChem CID 60582319) has the molecular formula C21H24FN3O3S and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
PubChem CID60582319
Molecular FormulaC21H24FN3O3S
Molecular Weight417.51 g/mol
Exact Mass417.15
IUPAC Name2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
SMILESCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC3c3ccccc3F)c2)CC1
InChIInChI=1S/C21H24FN3O3S/c1-24-9-11-25(12-10-24)29(27,28)16-6-4-5-15(13-16)23-21(26)19-14-18(19)17-7-2-3-8-20(17)22/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,26)
InChIKeyONGCQVXGPRLYPH-UHFFFAOYSA-N
XLogP2.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluorophenyl)-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]cyclopropane-1-carboxamide
CID 60549670
2-(2-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 86955889
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-3-carboxamide
CID 119864452
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119864405
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
4-hydroxy-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrrolidine-2-carboxamide
CID 119864415
trans-(1R,2R)-2-(2-fluorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 97014074
2-methyl-N-(3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
CID 17070424
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 119946832
2-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]propanamide;dihydrochloride
CID 119864412
[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-[2-(2-fluorophenyl)cyclopropyl]methanone
CID 55474132

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide (CID 60582319) is 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide is CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3CC3c3ccccc3F)c2)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide?
The InChIKey is ONGCQVXGPRLYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3S/c1-24-9-11-25(12-10-24)29(27,28)16-6-4-5-15(13-16)23-21(26)19-14-18(19)17-7-2-3-8-20(17)22/h2-8,13,18-19H,9-12,14H2,1H3,(H,23,26).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide?
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 60582319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).