3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

C23H16FNO4S2 — CID 122194315

IUPAC3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)s1
InChIInChI=1S/C23H16FNO4S2/c24-17-6-3-9-20(14-17)31(28,29)25-18-7-1-4-15(12-18)21-10-11-22(30-21)23(27)16-5-2-8-19(26)13-16/h1-14,25-26H
InChIKeyDSMSHFYLXDHWPN-UHFFFAOYSA-N
MW453.52 g/mol
LogP5.29
Rot. Bonds6

About 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide

3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (PubChem CID 122194315) has the molecular formula C23H16FNO4S2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
PubChem CID122194315
Molecular FormulaC23H16FNO4S2
Molecular Weight453.52 g/mol
Exact Mass453.05
IUPAC Name3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
SMILESO=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)s1
InChIInChI=1S/C23H16FNO4S2/c24-17-6-3-9-20(14-17)31(28,29)25-18-7-1-4-15(12-18)21-10-11-22(30-21)23(27)16-5-2-8-19(26)13-16/h1-14,25-26H
InChIKeyDSMSHFYLXDHWPN-UHFFFAOYSA-N
XLogP5.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyano-N-[4-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 122194302
N-[[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]methyl]methanesulfonamide
CID 56928978
4-cyano-N-[3-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide
CID 155519849
N-[3-[5-(3-ethoxyphenyl)thiophene-2-carbonyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 162534508
N-[3-[(3-fluorophenyl)sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 55538744
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
3-[(3-fluorophenyl)sulfamoyl]-N-(3-nitrosophenyl)benzamide
CID 170977001
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide (CID 122194315) is 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)s1.
What is the InChIKey of 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
The InChIKey is DSMSHFYLXDHWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4S2/c24-17-6-3-9-20(14-17)31(28,29)25-18-7-1-4-15(12-18)21-10-11-22(30-21)23(27)16-5-2-8-19(26)13-16/h1-14,25-26H.
What are the key properties of 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide?
3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide has a molecular weight of 453.52 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-[5-(3-hydroxybenzoyl)thiophen-2-yl]phenyl]benzenesulfonamide is sourced from PubChem (CID 122194315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).