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

C18H16FNO4S — CID 23647759

IUPAC2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid
SMILESCC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21
InChIInChI=1S/C18H16FNO4S/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/h3,5-10,20H,2,4H2,1H3,(H,21,22)
InChIKeyOCRFJQHVDVDJIO-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.67
Rot. Bonds4

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

2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid (PubChem CID 23647759) has the molecular formula C18H16FNO4S and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid
PubChem CID23647759
Molecular FormulaC18H16FNO4S
Molecular Weight361.39 g/mol
Exact Mass361.08
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid
SMILESCC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21
InChIInChI=1S/C18H16FNO4S/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/h3,5-10,20H,2,4H2,1H3,(H,21,22)
InChIKeyOCRFJQHVDVDJIO-UHFFFAOYSA-N
XLogP3.67
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-((2-Naphthalenylsulfonyl)amino)benzoic acid
CID 4798771
5-Methyl-2-((phenylsulfonyl)amino)benzoic acid
CID 6102684
2-[(Phenylsulfonyl)amino]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102685
2-(((2-((1Z)-3-(Dimethylamino)prop-1-enyl)-4-fluorophenyl)sulfonyl)amino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 6102686
3-Ethyl-6-(((4-fluorophenyl)sulfonyl)amino)-2-methylbenzoic acid
CID 23647763
Benzoic acid, 2-(((4-methylphenyl)sulfonyl)amino)-
CID 22763
Benzoic acid, 2-((phenylsulfonyl)amino)-
CID 36941
5,6-Disubstituted anthranilic acid sulfonamide, 9o
CID 10245616
Benzoic acid, 5-ethyl-2-[(phenylsulfonyl)amino]-
CID 10402833
2-[(4-Fluorobenzene)sulfonamido]naphthalene-1-carboxylic acid
CID 10427648
Anthranilic Acid Sulfonamide, 28a
CID 11503191
Anthranilic Acid Sulfonamide, 28c
CID 11510884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid (CID 23647759) is 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid is CC1=CCCc2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)O)c21.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid?
The InChIKey is OCRFJQHVDVDJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO4S/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/h3,5-10,20H,2,4H2,1H3,(H,21,22).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid?
2-[(4-fluorophenyl)sulfonylamino]-8-methyl-5,6-dihydronaphthalene-1-carboxylic acid has a molecular weight of 361.39 g/mol, XLogP of 3.67, 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-dihydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 23647759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).