N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C16H16ClFN2O3S — CID 1331158

IUPACN-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(7-4-11)24(22,23)20(2)10-16(21)19-12-5-8-15(18)14(17)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCPCOMYHYHAGYAS-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.05
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 1331158) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID1331158
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(7-4-11)24(22,23)20(2)10-16(21)19-12-5-8-15(18)14(17)9-12/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyCPCOMYHYHAGYAS-UHFFFAOYSA-N
XLogP3.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 1331158) is N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is CPCOMYHYHAGYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11-3-6-13(7-4-11)24(22,23)20(2)10-16(21)19-12-5-8-15(18)14(17)9-12/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 370.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 1331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).