N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide

C19H17FN2O4S — CID 42708667

IUPACN-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4S/c20-15-8-10-16(11-9-15)22(19(23)18-7-4-14-26-18)13-12-21-27(24,25)17-5-2-1-3-6-17/h1-11,14,21H,12-13H2
InChIKeyWQFZAAIXTZQKPW-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.04
Rot. Bonds7

About N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide

N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 42708667) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
PubChem CID42708667
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC NameN-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H17FN2O4S/c20-15-8-10-16(11-9-15)22(19(23)18-7-4-14-26-18)13-12-21-27(24,25)17-5-2-1-3-6-17/h1-11,14,21H,12-13H2
InChIKeyWQFZAAIXTZQKPW-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-(furan-2-carbonyl)anilino]propanoic acid
CID 28764053
1-(4-fluorophenyl)-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylurea
CID 42705478
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 42708664
3-[4-fluoro-N-(furan-2-carbonyl)anilino]-2-methylpropanoic acid
CID 82321510
N-(4-fluorophenyl)-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzamide
CID 42726365
N-[4-[acetyl-[2-[(4-fluorophenyl)sulfonylamino]ethyl]amino]phenyl]acetamide
CID 113061863
N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-N-(4-methoxyphenyl)acetamide
CID 113060704
N-[(4-fluorophenyl)methyl]-N-[4-[2-oxo-2-(1-phenylethylamino)ethyl]phenyl]furan-2-carboxamide
CID 46052356
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1449926
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
3-[N-(furan-2-carbonyl)-3,4-dimethylanilino]propanoic acid
CID 82321480
N-[3-[(4-tert-butylphenyl)sulfonylamino]propyl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 42726216

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide (CID 42708667) is N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide is O=C(c1ccco1)N(CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is WQFZAAIXTZQKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c20-15-8-10-16(11-9-15)22(19(23)18-7-4-14-26-18)13-12-21-27(24,25)17-5-2-1-3-6-17/h1-11,14,21H,12-13H2.
What are the key properties of N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide?
N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonamido)ethyl]-N-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 42708667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).