3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid

C23H26ClNO6S — CID 18614869

IUPAC3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOC(=O)CCc1cc(CCC(=O)O)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C23H26ClNO6S/c1-31-23(28)11-3-16-12-15(2-10-22(26)27)13-17-14-19(6-9-21(16)17)25-32(29,30)20-7-4-18(24)5-8-20/h4-5,7-8,12-13,19,25H,2-3,6,9-11,14H2,1H3,(H,26,27)
InChIKeyZWXZSVISIQURIG-UHFFFAOYSA-N
MW479.98 g/mol
LogP3.30
Rot. Bonds9

About 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid

3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid (PubChem CID 18614869) has the molecular formula C23H26ClNO6S and a molecular weight of 479.98 g/mol. Its IUPAC name is 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
PubChem CID18614869
Molecular FormulaC23H26ClNO6S
Molecular Weight479.98 g/mol
Exact Mass479.12
IUPAC Name3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOC(=O)CCc1cc(CCC(=O)O)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C23H26ClNO6S/c1-31-23(28)11-3-16-12-15(2-10-22(26)27)13-17-14-19(6-9-21(16)17)25-32(29,30)20-7-4-18(24)5-8-20/h4-5,7-8,12-13,19,25H,2-3,6,9-11,14H2,1H3,(H,26,27)
InChIKeyZWXZSVISIQURIG-UHFFFAOYSA-N
XLogP3.30
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.98
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[6-[(4-chlorophenyl)sulfonylamino]-2-[2-(4-methylphenyl)sulfonyloxyethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoate
CID 11050297
3-[6-[(4-chlorophenyl)sulfonylamino]-3-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid
CID 10254784
3-[2-methyl-6-[(4-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
CID 143027480
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
sodium 4-[[2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetyl]amino]butanoate
CID 67937538
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
3-[6-[(4-chlorophenyl)sulfonylamino]-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
CID 15516387
3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078407
methyl 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 67783424
4-chloro-N-(7-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 173275861
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
ethyl 3-[2-[[(4-chlorophenyl)sulfonylamino]methyl]-2,3-dihydro-1H-inden-5-yl]propanoate
CID 18921500

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid?
The IUPAC name of 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid (CID 18614869) is 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid.
What is the SMILES notation for 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid?
The canonical SMILES for 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid is COC(=O)CCc1cc(CCC(=O)O)cc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid?
The InChIKey is ZWXZSVISIQURIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO6S/c1-31-23(28)11-3-16-12-15(2-10-22(26)27)13-17-14-19(6-9-21(16)17)25-32(29,30)20-7-4-18(24)5-8-20/h4-5,7-8,12-13,19,25H,2-3,6,9-11,14H2,1H3,(H,26,27).
What are the key properties of 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid?
3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid has a molecular weight of 479.98 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(4-chlorophenyl)sulfonylamino]-4-(3-methoxy-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]propanoic acid is sourced from PubChem (CID 18614869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).