N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide

C23H11F6NO4S2 — CID 155538884

IUPACN-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H
InChIKeyHNXVLHDEEPNFTM-UHFFFAOYSA-N
MW543.47 g/mol
LogP5.99
Rot. Bonds6

About N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide

N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide (PubChem CID 155538884) has the molecular formula C23H11F6NO4S2 and a molecular weight of 543.47 g/mol. Its IUPAC name is N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide
PubChem CID155538884
Molecular FormulaC23H11F6NO4S2
Molecular Weight543.47 g/mol
Exact Mass543.00
IUPAC NameN-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide
SMILESO=C(c1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)s1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H
InChIKeyHNXVLHDEEPNFTM-UHFFFAOYSA-N
XLogP5.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.47
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[5-(2,4-difluorophenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652926
[5-(2-hydroxyphenyl)thiophen-2-yl]-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122653018
N-(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)-4-fluorobenzenesulfonamide
CID 165082965
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
pyrrolidin-1-yl-[5-(2,4,5-trifluoro-3-hydroxyphenyl)thiophen-2-yl]methanone
CID 170590797
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-1-benzothiophene-2-carboxamide
CID 55911688
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
[4-[5-(2,4,5-trifluoro-3-methoxybenzoyl)thiophen-2-yl]phenyl] sulfamate
CID 122652978
N-(3-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2332033
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
3-amino-4-bromo-N-(2,4,5-trifluorophenyl)benzenesulfonamide
CID 115329248

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide (CID 155538884) is N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide is O=C(c1ccc(-c2cc(NS(=O)(=O)c3ccc(F)cc3)c(F)cc2F)s1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide?
The InChIKey is HNXVLHDEEPNFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H11F6NO4S2/c24-10-1-3-11(4-2-10)36(33,34)30-17-8-12(14(25)9-15(17)26)18-5-6-19(35-18)22(31)13-7-16(27)21(29)23(32)20(13)28/h1-9,30,32H.
What are the key properties of N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide?
N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide has a molecular weight of 543.47 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-5-[5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl]phenyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 155538884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).