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

C19H20ClFN2O3S — CID 43898475

IUPAC2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCc2ccccc21)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O3S/c1-27(25,26)23(14-9-10-17(21)16(20)11-14)12-19(24)22-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,22,24)
InChIKeyMAZPUKNLYLQTQG-UHFFFAOYSA-N
MW410.90 g/mol
LogP3.44
Rot. Bonds5

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

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 43898475) has the molecular formula C19H20ClFN2O3S and a molecular weight of 410.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID43898475
Molecular FormulaC19H20ClFN2O3S
Molecular Weight410.90 g/mol
Exact Mass410.09
IUPAC Name2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCc2ccccc21)c1ccc(F)c(Cl)c1
InChIInChI=1S/C19H20ClFN2O3S/c1-27(25,26)23(14-9-10-17(21)16(20)11-14)12-19(24)22-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,22,24)
InChIKeyMAZPUKNLYLQTQG-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28984802
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92676137
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92675186
2-(4-iodo-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30230341
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30221208
2-(4-ethyl-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92673967
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30245869
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43894980
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30225649
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 28569839
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946845
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 30229056

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 43898475) is 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is CS(=O)(=O)N(CC(=O)NC1CCCc2ccccc21)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is MAZPUKNLYLQTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3S/c1-27(25,26)23(14-9-10-17(21)16(20)11-14)12-19(24)22-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-11,18H,4,6,8,12H2,1H3,(H,22,24).
What are the key properties of 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 410.90 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 43898475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).