2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

C15H21ClFN3O3S — CID 50946845

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21ClFN3O3S/c1-19-7-5-11(6-8-19)18-15(21)10-20(24(2,22)23)12-3-4-14(17)13(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyHDCLGWJFAMAFTL-UHFFFAOYSA-N
MW377.87 g/mol
LogP1.46
Rot. Bonds5

About 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 50946845) has the molecular formula C15H21ClFN3O3S and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID50946845
Molecular FormulaC15H21ClFN3O3S
Molecular Weight377.87 g/mol
Exact Mass377.10
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCN1CCC(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H21ClFN3O3S/c1-19-7-5-11(6-8-19)18-15(21)10-20(24(2,22)23)12-3-4-14(17)13(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21)
InChIKeyHDCLGWJFAMAFTL-UHFFFAOYSA-N
XLogP1.46
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946237
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43898475
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
N-(3-chloro-4-fluorophenyl)-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
CID 967280
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30245869
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(2-ethylsulfanylphenyl)acetamide
CID 92686139
N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 50945576
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(3-ethoxypropyl)acetamide
CID 126411249

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide (CID 50946845) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is CN1CCC(NC(=O)CN(c2ccc(F)c(Cl)c2)S(C)(=O)=O)CC1.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is HDCLGWJFAMAFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFN3O3S/c1-19-7-5-11(6-8-19)18-15(21)10-20(24(2,22)23)12-3-4-14(17)13(16)9-12/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,21).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 377.87 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50946845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).