N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide

C19H17FN2O4S — CID 36897993

IUPACN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O4S/c1-27(24,25)22-16-4-2-3-14(11-16)19(23)21-12-17-9-10-18(26-17)13-5-7-15(20)8-6-13/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyWKIBKTPYGNSYDL-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.39
Rot. Bonds6

About N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide (PubChem CID 36897993) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
PubChem CID36897993
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H17FN2O4S/c1-27(24,25)22-16-4-2-3-14(11-16)19(23)21-12-17-9-10-18(26-17)13-5-7-15(20)8-6-13/h2-11,22H,12H2,1H3,(H,21,23)
InChIKeyWKIBKTPYGNSYDL-UHFFFAOYSA-N
XLogP3.39
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methylsulfamoyl)benzamide
CID 36897387
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3,4-dimethoxybenzamide
CID 24672781
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-fluorobenzamide
CID 54858020
N-[3-[[[2-(4-fluorophenyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 31726265
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-methylbenzamide
CID 9204101
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-(cyclopropylmethyl)-3-(methanesulfonamido)benzamide
CID 33457615
N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46410027
3-fluoro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731628
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide (CID 36897993) is N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide?
The InChIKey is WKIBKTPYGNSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-27(24,25)22-16-4-2-3-14(11-16)19(23)21-12-17-9-10-18(26-17)13-5-7-15(20)8-6-13/h2-11,22H,12H2,1H3,(H,21,23).
What are the key properties of N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide?
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide has a molecular weight of 388.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 36897993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).