N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

C16H14F2N2O3S — CID 35540844

IUPACN-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1
InChIInChI=1S/C16H14F2N2O3S/c17-14-7-6-13(9-15(14)18)24(22,23)20-12-3-1-2-11(8-12)19-16(21)10-4-5-10/h1-3,6-10,20H,4-5H2,(H,19,21)
InChIKeyJVZWLAQJLWJRDJ-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.11
Rot. Bonds5

About N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide

N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (PubChem CID 35540844) has the molecular formula C16H14F2N2O3S and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
PubChem CID35540844
Molecular FormulaC16H14F2N2O3S
Molecular Weight352.36 g/mol
Exact Mass352.07
IUPAC NameN-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1
InChIInChI=1S/C16H14F2N2O3S/c17-14-7-6-13(9-15(14)18)24(22,23)20-12-3-1-2-11(8-12)19-16(21)10-4-5-10/h1-3,6-10,20H,4-5H2,(H,19,21)
InChIKeyJVZWLAQJLWJRDJ-UHFFFAOYSA-N
XLogP3.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(2,6-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541103
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
N-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
N-[3-[(3-bromophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541087
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750
N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 39124674
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
4-[[3-(cyclopropanecarbonylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106119
1-(3,4-difluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 26914170
N-[3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 43055164

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide (CID 35540844) is N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)C1CC1.
What is the InChIKey of N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
The InChIKey is JVZWLAQJLWJRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O3S/c17-14-7-6-13(9-15(14)18)24(22,23)20-12-3-1-2-11(8-12)19-16(21)10-4-5-10/h1-3,6-10,20H,4-5H2,(H,19,21).
What are the key properties of N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide?
N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 35540844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).