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

C24H17Cl2FN2O4S4 — CID 50943357

IUPAC5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)sc2ccc(Cl)cc12
InChIInChI=1S/C24H17Cl2FN2O4S4/c1-12-17-9-14(25)3-7-21(17)34-23(12)36(30,31)28-19-6-5-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)4-8-22(18)35-24/h3-11,28-29H,1-2H3
InChIKeyWTLSINFDZLVUOO-UHFFFAOYSA-N
MW615.58 g/mol
LogP7.78
Rot. Bonds6

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

5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide (PubChem CID 50943357) has the molecular formula C24H17Cl2FN2O4S4 and a molecular weight of 615.58 g/mol. Its IUPAC name is 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
PubChem CID50943357
Molecular FormulaC24H17Cl2FN2O4S4
Molecular Weight615.58 g/mol
Exact Mass613.94
IUPAC Name5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide
SMILESCc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)sc2ccc(Cl)cc12
InChIInChI=1S/C24H17Cl2FN2O4S4/c1-12-17-9-14(25)3-7-21(17)34-23(12)36(30,31)28-19-6-5-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)4-8-22(18)35-24/h3-11,28-29H,1-2H3
InChIKeyWTLSINFDZLVUOO-UHFFFAOYSA-N
XLogP7.78
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.58
LogP ≤ 57.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide with MolForge

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Related Compounds

5-fluoro-N-[4-fluoro-2-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 50943437
5-chloro-N,3-dimethyl-1-benzothiophene-2-sulfonamide
CID 23548743
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-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
CID 58861002
N-(4-acetyl-2-methylsulfonylphenyl)-5-fluoro-3-methyl-1-benzothiophene-2-sulfonamide
CID 10366027
5-chloro-N-[4-chloro-2-[2-(5-chloro-3-methyl-1-benzothiophen-2-yl)ethylamino]-5-methylphenyl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 123189508
N-(4-benzoyl-2-methylsulfonylphenyl)-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
CID 12045138
N-[2-(benzenesulfonyl)-4-chlorophenyl]-3,5-dimethyl-1-benzothiophene-2-sulfonamide
CID 118074437
methyl 4-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-ethylsulfonylbenzoate
CID 12045134
5-chloro-N-(4-methoxy-2-piperazin-1-ylphenyl)-3-methyl-1-benzothiophene-2-sulfonamide
CID 142659771
5-chloro-2-(chloromethylsulfonyl)-3-methyl-1-benzothiophene
CID 11266391

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide (CID 50943357) is 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide is Cc1c(S(=O)(=O)Nc2ccc(F)cc2NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)sc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
The InChIKey is WTLSINFDZLVUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2FN2O4S4/c1-12-17-9-14(25)3-7-21(17)34-23(12)36(30,31)28-19-6-5-16(27)11-20(19)29-37(32,33)24-13(2)18-10-15(26)4-8-22(18)35-24/h3-11,28-29H,1-2H3.
What are the key properties of 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide?
5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide has a molecular weight of 615.58 g/mol, XLogP of 7.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-4-fluorophenyl]-3-methyl-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 50943357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).