5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide

C18H17ClFNO4S — CID 72545673

IUPAC5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3c(c2)CCCC3)cc1F
InChIInChI=1S/C18H17ClFNO4S/c1-26(23,24)21-18(22)14-9-15(19)17(10-16(14)20)25-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyRDSLZAYDXWNXJP-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.84
Rot. Bonds4

About 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide

5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide (PubChem CID 72545673) has the molecular formula C18H17ClFNO4S and a molecular weight of 397.86 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide
PubChem CID72545673
Molecular FormulaC18H17ClFNO4S
Molecular Weight397.86 g/mol
Exact Mass397.06
IUPAC Name5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide
SMILESCS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3c(c2)CCCC3)cc1F
InChIInChI=1S/C18H17ClFNO4S/c1-26(23,24)21-18(22)14-9-15(19)17(10-16(14)20)25-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyRDSLZAYDXWNXJP-UHFFFAOYSA-N
XLogP3.84
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide (CID 72545673) is 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide is CS(=O)(=O)NC(=O)c1cc(Cl)c(Oc2ccc3c(c2)CCCC3)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide?
The InChIKey is RDSLZAYDXWNXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO4S/c1-26(23,24)21-18(22)14-9-15(19)17(10-16(14)20)25-13-7-6-11-4-2-3-5-12(11)8-13/h6-10H,2-5H2,1H3,(H,21,22).
What are the key properties of 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide?
5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide has a molecular weight of 397.86 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methylsulfonyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzamide is sourced from PubChem (CID 72545673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).