4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide

C21H20F2N2O5S — CID 55471609

IUPAC4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H20F2N2O5S/c22-19-9-8-18(13-20(19)23)31(27,28)25-16-6-4-15(5-7-16)21(26)24-10-2-11-29-14-17-3-1-12-30-17/h1,3-9,12-13,25H,2,10-11,14H2,(H,24,26)
InChIKeyMDQVJZLTIDOSFE-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.70
Rot. Bonds10

About 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide

4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide (PubChem CID 55471609) has the molecular formula C21H20F2N2O5S and a molecular weight of 450.46 g/mol. Its IUPAC name is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
PubChem CID55471609
Molecular FormulaC21H20F2N2O5S
Molecular Weight450.46 g/mol
Exact Mass450.11
IUPAC Name4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide
SMILESO=C(NCCCOCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C21H20F2N2O5S/c22-19-9-8-18(13-20(19)23)31(27,28)25-16-6-4-15(5-7-16)21(26)24-10-2-11-29-14-17-3-1-12-30-17/h1,3-9,12-13,25H,2,10-11,14H2,(H,24,26)
InChIKeyMDQVJZLTIDOSFE-UHFFFAOYSA-N
XLogP3.70
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
1-(3,4-difluorophenyl)sulfonyl-N-[3-(furan-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 55463061
4-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593242
4-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 27256677
N-[3-(furan-2-ylmethoxy)propyl]-4-(methylsulfanylmethyl)benzamide
CID 86914792
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
2-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 55478702
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 31582051

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide (CID 55471609) is 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide is O=C(NCCCOCc1ccco1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
The InChIKey is MDQVJZLTIDOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O5S/c22-19-9-8-18(13-20(19)23)31(27,28)25-16-6-4-15(5-7-16)21(26)24-10-2-11-29-14-17-3-1-12-30-17/h1,3-9,12-13,25H,2,10-11,14H2,(H,24,26).
What are the key properties of 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide?
4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide has a molecular weight of 450.46 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-difluorophenyl)sulfonylamino]-N-[3-(furan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 55471609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).