1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

C23H19F2N3O5S — CID 59165930

IUPAC1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H19F2N3O5S/c1-13-2-9-19(27-20(13)14-3-6-16(7-4-14)34(26,30)31)28-21(29)22(10-11-22)15-5-8-17-18(12-15)33-23(24,25)32-17/h2-9,12H,10-11H2,1H3,(H2,26,30,31)(H,27,28,29)
InChIKeyJNJTWDDMQORAGB-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.70
Rot. Bonds5

About 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 59165930) has the molecular formula C23H19F2N3O5S and a molecular weight of 487.48 g/mol. Its IUPAC name is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
PubChem CID59165930
Molecular FormulaC23H19F2N3O5S
Molecular Weight487.48 g/mol
Exact Mass487.10
IUPAC Name1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C23H19F2N3O5S/c1-13-2-9-19(27-20(13)14-3-6-16(7-4-14)34(26,30)31)28-21(29)22(10-11-22)15-5-8-17-18(12-15)33-23(24,25)32-17/h2-9,12H,10-11H2,1H3,(H2,26,30,31)(H,27,28,29)
InChIKeyJNJTWDDMQORAGB-UHFFFAOYSA-N
XLogP3.70
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Lumacaftor
CID 16678941
Benzoic acid, 3-(6-(((1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl)carbonyl)amino)-3-methyl-2-pyridinyl)-, 1,1-dimethylethyl ester
CID 58473277
1-(3,4-dimethoxyphenyl)-N-(4-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}phenyl)cyclopentanecarboxamide
CID 2946712
N-(6-chloro-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide
CID 59165796
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-N-(6-phenylpyridin-2-yl)acetamide
CID 134956575
N-(4-aminobutyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624796
N-(6-aminohexyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624799
N-(5-aminopentyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624818
N-(3-aminopropyl)-3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamido)-3-methylpyridin-2-yl)benzamide
CID 162624839
3-[6-[[1-(2,2-Difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]cubane-1-carboxylic acid
CID 177865967
1-(1,3-benzodioxol-5-yl)-N-[6-(2,5-difluorophenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 16678518
1-(1,3-benzodioxol-5-yl)-N-[6-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]pyridin-2-yl]cyclopropane-1-carboxamide
CID 16678622

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 59165930) is 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is JNJTWDDMQORAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O5S/c1-13-2-9-19(27-20(13)14-3-6-16(7-4-14)34(26,30)31)28-21(29)22(10-11-22)15-5-8-17-18(12-15)33-23(24,25)32-17/h2-9,12H,10-11H2,1H3,(H2,26,30,31)(H,27,28,29).
What are the key properties of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide?
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 487.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(4-sulfamoylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59165930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).