3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid

C19H20ClNO4S — CID 15291968

IUPAC3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
SMILESO=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23)
InChIKeyGLGCGDNKOCLHIH-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.19
Rot. Bonds6

About 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid

3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid (PubChem CID 15291968) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
PubChem CID15291968
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
SMILESO=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23)
InChIKeyGLGCGDNKOCLHIH-UHFFFAOYSA-N
XLogP3.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-[6-[(4-Chlorophenyl)sulfonylamino]-2-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
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3-[2-Benzyl-6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
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3-[6-[(4-Chlorophenyl)sulfonylamino]-3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid?
The IUPAC name of 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid (CID 15291968) is 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid.
What is the SMILES notation for 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid?
The canonical SMILES for 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid is O=C(O)CCc1cccc2c1CCC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid?
The InChIKey is GLGCGDNKOCLHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c20-15-5-8-17(9-6-15)26(24,25)21-16-7-10-18-13(4-11-19(22)23)2-1-3-14(18)12-16/h1-3,5-6,8-9,16,21H,4,7,10-12H2,(H,22,23).
What are the key properties of 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid?
3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid has a molecular weight of 393.89 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-1-yl]propanoic acid is sourced from PubChem (CID 15291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).