1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide

C23H19FN2O5S — CID 59206874

IUPAC1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2F)cc1
InChIInChI=1S/C23H19FN2O5S/c24-19-7-4-16(12-18(19)14-1-5-17(6-2-14)32(25,28)29)26-22(27)23(9-10-23)15-3-8-20-21(11-15)31-13-30-20/h1-8,11-12H,9-10,13H2,(H,26,27)(H2,25,28,29)
InChIKeyDAUQVHDPBWRSKB-UHFFFAOYSA-N
MW454.48 g/mol
LogP3.54
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 59206874) has the molecular formula C23H19FN2O5S and a molecular weight of 454.48 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
PubChem CID59206874
Molecular FormulaC23H19FN2O5S
Molecular Weight454.48 g/mol
Exact Mass454.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2F)cc1
InChIInChI=1S/C23H19FN2O5S/c24-19-7-4-16(12-18(19)14-1-5-17(6-2-14)32(25,28)29)26-22(27)23(9-10-23)15-3-8-20-21(11-15)31-13-30-20/h1-8,11-12H,9-10,13H2,(H,26,27)(H2,25,28,29)
InChIKeyDAUQVHDPBWRSKB-UHFFFAOYSA-N
XLogP3.54
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206683
1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-[4-(hydroxymethyl)phenyl]phenyl]cyclopropane-1-carboxamide
CID 59206232
1-(1,3-benzodioxol-5-yl)-N-[4-tert-butyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158134694
4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-fluorophenyl]-N-methylbenzamide;molecular hydrogen
CID 158648339
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(methylsulfamoyl)phenyl]-4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206887
1-(1,3-benzodioxol-5-yl)-N-[2-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 161083275
CID 59206942
CID 59206942
1-(1,3-benzodioxol-5-yl)-N-[4-[4-(methylsulfamoyl)phenyl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59206982
1-(3,4-dihydroxyphenyl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 71174077
1-(1,3-benzodioxol-5-yl)-N-[3-(4-hydroxyphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206865
(2R)-2-[[4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-methylphenyl]phenyl]sulfonylamino]propanoic acid
CID 59206291
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(1,3-dihydroxypropan-2-ylsulfamoyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206259

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide (CID 59206874) is 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide is NS(=O)(=O)c1ccc(-c2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2F)cc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is DAUQVHDPBWRSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O5S/c24-19-7-4-16(12-18(19)14-1-5-17(6-2-14)32(25,28)29)26-22(27)23(9-10-23)15-3-8-20-21(11-15)31-13-30-20/h1-8,11-12H,9-10,13H2,(H,26,27)(H2,25,28,29).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide?
1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[4-fluoro-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59206874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).