N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

C21H18ClFN2O3S2 — CID 30258861

IUPACN-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S2/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26)
InChIKeySAUCZENECYYACH-UHFFFAOYSA-N
MW464.97 g/mol
LogP5.03
Rot. Bonds7

About N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide

N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (PubChem CID 30258861) has the molecular formula C21H18ClFN2O3S2 and a molecular weight of 464.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
PubChem CID30258861
Molecular FormulaC21H18ClFN2O3S2
Molecular Weight464.97 g/mol
Exact Mass464.04
IUPAC NameN-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
SMILESCSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(F)c2)cc1
InChIInChI=1S/C21H18ClFN2O3S2/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26)
InChIKeySAUCZENECYYACH-UHFFFAOYSA-N
XLogP5.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30259950
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 30266187
N-(2,4-dimethylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30258134
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 30270285
N-(2-chlorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 3958510
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-naphthalen-2-ylacetamide
CID 30259505
2-[[2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 43899882
N-cyclopropyl-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30265654
N-(4-butylphenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 30270668
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 30275792
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 43899996
2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 30263816

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide (CID 30258861) is N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(F)c2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
The InChIKey is SAUCZENECYYACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O3S2/c1-29-17-9-11-18(12-10-17)30(27,28)25(16-6-4-5-15(23)13-16)14-21(26)24-20-8-3-2-7-19(20)22/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide?
N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide has a molecular weight of 464.97 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(3-fluoro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30258861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).