(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

C18H18FNO4S — CID 23647761

IUPAC(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESC[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21
InChIInChI=1S/C18H18FNO4S/c1-11-3-2-4-12-5-10-15(17(16(11)12)18(21)22)20-25(23,24)14-8-6-13(19)7-9-14/h5-11,20H,2-4H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyKZALYMKORCVHMR-NSHDSACASA-N
MW363.41 g/mol
LogP3.76
Rot. Bonds4

About (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid

(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 23647761) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID23647761
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESC[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21
InChIInChI=1S/C18H18FNO4S/c1-11-3-2-4-12-5-10-15(17(16(11)12)18(21)22)20-25(23,24)14-8-6-13(19)7-9-14/h5-11,20H,2-4H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyKZALYMKORCVHMR-NSHDSACASA-N
XLogP3.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 23647761) is (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is C[C@H]1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21.
What is the InChIKey of (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is KZALYMKORCVHMR-NSHDSACASA-N. The full InChI is InChI=1S/C18H18FNO4S/c1-11-3-2-4-12-5-10-15(17(16(11)12)18(21)22)20-25(23,24)14-8-6-13(19)7-9-14/h5-11,20H,2-4H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
(8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 23647761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).