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

C18H18FNO4S — CID 68863953

IUPAC2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCC1CCCc2ccc(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)
InChIKeyKZALYMKORCVHMR-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.76
Rot. Bonds4

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

2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 68863953) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
PubChem CID68863953
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
SMILESCC1CCCc2ccc(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)
InChIKeyKZALYMKORCVHMR-UHFFFAOYSA-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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Related Compounds

(8S)-2-[[2-[3-(diethylamino)propylamino]phenyl]sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68863555
6-[(4-fluorophenyl)sulfonylamino]-3-(hydroxymethyl)-2-methylbenzoic acid
CID 23647766
2-[(4-phenylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 68866403
N-(2,4-difluorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 109061537
4-[(4-fluorophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 60827855
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
N-[[7-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 24798449
2-[[2-[3-(diethylamino)propylamino]-5-fluorophenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 11627073
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
methyl 4-[(4-fluorophenyl)sulfonylamino]-3-methoxybenzoate
CID 18629030
4-[(4-fluorophenyl)sulfamoyl]benzoic acid
CID 2345459
N-cyclopropyl-N-[4-fluoro-2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 113093216

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid (CID 68863953) is 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is CC1CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is KZALYMKORCVHMR-UHFFFAOYSA-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).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid?
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 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 68863953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).