5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

C24H17F3N2O4S4 — CID 50943437

IUPAC5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(F)cc3c2C)sc2ccc(F)cc12
InChIInChI=1S/C24H17F3N2O4S4/c1-12-17-9-14(25)4-7-21(17)34-23(12)36(30,31)28-19-6-3-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)5-8-22(18)35-24/h3-11,28-29H,1-2H3
InChIKeyYDWSASKWNOZJOE-UHFFFAOYSA-N
MW582.67 g/mol
LogP6.75
Rot. Bonds6

About 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide

5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 50943437) has the molecular formula C24H17F3N2O4S4 and a molecular weight of 582.67 g/mol. Its IUPAC name is 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID50943437
Molecular FormulaC24H17F3N2O4S4
Molecular Weight582.67 g/mol
Exact Mass582.00
IUPAC Name5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(F)cc3c2C)sc2ccc(F)cc12
InChIInChI=1S/C24H17F3N2O4S4/c1-12-17-9-14(25)4-7-21(17)34-23(12)36(30,31)28-19-6-3-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)5-8-22(18)35-24/h3-11,28-29H,1-2H3
InChIKeyYDWSASKWNOZJOE-UHFFFAOYSA-N
XLogP6.75
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943357
N-(4-acetyl-2-methylsulfonylphenyl)-5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
CID 10366027
5-fluoro-N-[4-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 24965971
2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-2-methyl-3H-1,3-thiazole-4-carboxylic acid
CID 69200967
5-bromo-N-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943438
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
N-[4-bromo-2-(trifluoromethyl)phenyl]-5-fluoro-3-(2-methylpropyl)-1-benzothiophene-2-sulfonamide
CID 59759970
5-chloro-3-methyl-N-(4-methylphenyl)-1-benzothiophene-2-sulfonamide
CID 2824261
6-acetyl-3-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-2-methylbenzenesulfonic acid
CID 141048962
5-fluoro-3-methyl-N-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]-1-benzothiophene-2-sulfonamide
CID 134404511
N-[2-(benzenesulfonyl)-4-chlorophenyl]-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 118074437
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 50943437) is 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(F)cc3c2C)sc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is YDWSASKWNOZJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N2O4S4/c1-12-17-9-14(25)4-7-21(17)34-23(12)36(30,31)28-19-6-3-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)5-8-22(18)35-24/h3-11,28-29H,1-2H3.
What are the key properties of 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 582.67 g/mol, XLogP of 6.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 50943437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).