5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide

C20H23ClFN5O4S — CID 123175382

IUPAC5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide
SMILESCc1nnn(C23CC4CC(CC2(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C4)C3)n1
InChIInChI=1S/C20H23ClFN5O4S/c1-11-23-26-27(24-11)20-8-12-3-13(9-20)7-19(20,6-12)10-31-17-5-16(22)14(4-15(17)21)18(28)25-32(2,29)30/h4-5,12-13H,3,6-10H2,1-2H3,(H,25,28)
InChIKeyQIGBFIQPVWQHAG-UHFFFAOYSA-N
MW483.95 g/mol
LogP2.45
Rot. Bonds6

About 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide

5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide (PubChem CID 123175382) has the molecular formula C20H23ClFN5O4S and a molecular weight of 483.95 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide
PubChem CID123175382
Molecular FormulaC20H23ClFN5O4S
Molecular Weight483.95 g/mol
Exact Mass483.11
IUPAC Name5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide
SMILESCc1nnn(C23CC4CC(CC2(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C4)C3)n1
InChIInChI=1S/C20H23ClFN5O4S/c1-11-23-26-27(24-11)20-8-12-3-13(9-20)7-19(20,6-12)10-31-17-5-16(22)14(4-15(17)21)18(28)25-32(2,29)30/h4-5,12-13H,3,6-10H2,1-2H3,(H,25,28)
InChIKeyQIGBFIQPVWQHAG-UHFFFAOYSA-N
XLogP2.45
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.95
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-fluoro-N-methylsulfonyl-4-[2-(3-tricyclo[3.3.1.03,7]nonanyl)ethoxy]benzamide
CID 123932799
4-(1-adamantylmethoxy)-2,5-difluoro-N-methylsulfonylbenzamide
CID 91809327
4-(2-bicyclo[2.2.1]heptanylmethoxy)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
CID 91809358
5-chloro-2-fluoro-N-methylsulfonyl-4-(oxan-4-ylmethoxy)benzamide
CID 171343351
4-(1-adamantylmethylamino)-5-chloro-2-fluoro-N-methylsulfonylbenzamide
CID 86702839
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-(2,2-difluorocyclopropyl)-2-fluoro-N-methylsulfonylbenzamide
CID 123438827
4-[2-(1-adamantyl)ethoxy]-5-chloro-N-(dimethylsulfamoyl)-2-fluorobenzamide
CID 86702885
4-(1-adamantylmethoxy)-5-chloro-2-fluorobenzoic acid
CID 86702859
1-[5-chloro-4-[(3-chloro-1-adamantyl)methoxy]-2-fluorophenyl]ethanone
CID 123816292
4-[3-(3-bicyclo[3.3.1]nonanyl)propoxy]-5-chloro-2-fluoro-N-(methylsulfamoyl)benzamide
CID 130457847
5-chloro-2-fluoro-4-[[4-[1-[[2-(2-methoxy-3-pyridinyl)-4-(methylsulfonylcarbamoyl)phenoxy]methyl]-3-tricyclo[3.3.1.03,7]nonanyl]-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methoxy]-N-methylsulfonylbenzamide
CID 123601664
4-(1-adamantylmethoxy)-N-(azetidin-1-ylsulfonyl)-2-fluoro-5-(3-hydroxyoxetan-3-yl)benzamide
CID 90016623

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide (CID 123175382) is 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide is Cc1nnn(C23CC4CC(CC2(COc2cc(F)c(C(=O)NS(C)(=O)=O)cc2Cl)C4)C3)n1.
What is the InChIKey of 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide?
The InChIKey is QIGBFIQPVWQHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN5O4S/c1-11-23-26-27(24-11)20-8-12-3-13(9-20)7-19(20,6-12)10-31-17-5-16(22)14(4-15(17)21)18(28)25-32(2,29)30/h4-5,12-13H,3,6-10H2,1-2H3,(H,25,28).
What are the key properties of 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide?
5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide has a molecular weight of 483.95 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methylsulfonyl-4-[[7-(5-methyltetrazol-2-yl)-3-tricyclo[3.3.1.03,7]nonanyl]methoxy]benzamide is sourced from PubChem (CID 123175382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).