1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

C21H19FN2O4S — CID 20971628

IUPAC1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H19FN2O4S/c22-16-5-9-19(10-6-16)29(26,27)24-17-7-3-15(4-8-17)21(11-12-21)20(25)23-14-18-2-1-13-28-18/h1-10,13,24H,11-12,14H2,(H,23,25)
InChIKeyBFKWSNWGRFXXAC-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.57
Rot. Bonds7

About 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide

1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 20971628) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID20971628
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC Name1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccco1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H19FN2O4S/c22-16-5-9-19(10-6-16)29(26,27)24-17-7-3-15(4-8-17)21(11-12-21)20(25)23-14-18-2-1-13-28-18/h1-10,13,24H,11-12,14H2,(H,23,25)
InChIKeyBFKWSNWGRFXXAC-UHFFFAOYSA-N
XLogP3.57
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-(furan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981847
N-benzyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061872
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-prop-2-enylcyclopropane-1-carboxamide
CID 50822332
2-[[4-[(4-fluorophenyl)sulfonylamino]benzoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34647496
N-(cyclohexylmethyl)-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062211
N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
4-fluoro-N-[5-(furan-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113026312
4-(benzenesulfonamido)-N-(furan-2-ylmethyl)benzamide
CID 2982615
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-(4-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]cyclobutane-1-carboxamide
CID 86921329

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide (CID 20971628) is 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccco1)C1(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BFKWSNWGRFXXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c22-16-5-9-19(10-6-16)29(26,27)24-17-7-3-15(4-8-17)21(11-12-21)20(25)23-14-18-2-1-13-28-18/h1-10,13,24H,11-12,14H2,(H,23,25).
What are the key properties of 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide?
1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(furan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 20971628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).