N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

C20H22FN3O4S — CID 39124674

IUPACN-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22FN3O4S/c1-12(2)24-29(27,28)16-8-9-18(21)17(11-16)20(26)23-15-5-3-4-14(10-15)22-19(25)13-6-7-13/h3-5,8-13,24H,6-7H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCZSWKBSOYXOQRO-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.11
Rot. Bonds7

About N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide

N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 39124674) has the molecular formula C20H22FN3O4S and a molecular weight of 419.48 g/mol. Its IUPAC name is N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID39124674
Molecular FormulaC20H22FN3O4S
Molecular Weight419.48 g/mol
Exact Mass419.13
IUPAC NameN-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H22FN3O4S/c1-12(2)24-29(27,28)16-8-9-18(21)17(11-16)20(26)23-15-5-3-4-14(10-15)22-19(25)13-6-7-13/h3-5,8-13,24H,6-7H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyCZSWKBSOYXOQRO-UHFFFAOYSA-N
XLogP3.11
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3,4-difluorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540844
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147
5-[[(1R)-1-cyclopentylethyl]sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90269965
2-fluoro-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55880493
5-(cyclopentylsulfamoyl)-2-fluoro-N-(3-methylphenyl)benzamide
CID 5157745
N-(3-chlorophenyl)-5-(cyclohexylsulfamoyl)-2-fluorobenzamide
CID 90075218
(2R)-2-[[3-[(3,4-difluorophenyl)carbamoyl]-4-fluorophenyl]sulfonylamino]propanoic acid
CID 76901469
N-(3,4-difluorophenyl)-2-fluoro-5-[1-(oxolan-3-yl)ethylsulfamoyl]benzamide
CID 123140267
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 86956514
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803
5-[(1-cyclopropyl-2,2,2-trifluoroethyl)sulfamoyl]-N-(3,4-difluorophenyl)-2-fluorobenzamide
CID 90259055
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide (CID 39124674) is N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CZSWKBSOYXOQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4S/c1-12(2)24-29(27,28)16-8-9-18(21)17(11-16)20(26)23-15-5-3-4-14(10-15)22-19(25)13-6-7-13/h3-5,8-13,24H,6-7H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide?
N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropanecarbonylamino)phenyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 39124674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).