methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C19H20FNO4S — CID 11516375

IUPACmethyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(NS(=O)(=O)c2cc(C)ccc2F)ccc2c1CCCC2
InChIInChI=1S/C19H20FNO4S/c1-12-7-9-15(20)17(11-12)26(23,24)21-16-10-8-13-5-3-4-6-14(13)18(16)19(22)25-2/h7-11,21H,3-6H2,1-2H3
InChIKeyBEIGBWFNVROOEF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 11516375) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID11516375
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Namemethyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCOC(=O)c1c(NS(=O)(=O)c2cc(C)ccc2F)ccc2c1CCCC2
InChIInChI=1S/C19H20FNO4S/c1-12-7-9-15(20)17(11-12)26(23,24)21-16-10-8-13-5-3-4-6-14(13)18(16)19(22)25-2/h7-11,21H,3-6H2,1-2H3
InChIKeyBEIGBWFNVROOEF-UHFFFAOYSA-N
XLogP3.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
7-[(2-fluoro-4-methylphenyl)sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 51121329
methyl 2-[[2-[(E)-5-(diethylamino)pent-1-enyl]phenyl]sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 68864649
methyl 2-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4305179
methyl 2-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate
CID 11521576
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
N-(2-fluoro-5-methylphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 8514842
N-[2-[(2,5-dimethylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093007
N-(2,4-difluorophenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2981983
methyl 8-[(5-acetyl-2-fluorophenyl)sulfonylcarbamoylamino]-1,2,3,5,6,7-hexahydro-s-indacene-4-carboxylate
CID 153337556
methyl 3-[(2-bromo-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35507966

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 11516375) is methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate is COC(=O)c1c(NS(=O)(=O)c2cc(C)ccc2F)ccc2c1CCCC2.
What is the InChIKey of methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is BEIGBWFNVROOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-12-7-9-15(20)17(11-12)26(23,24)21-16-10-8-13-5-3-4-6-14(13)18(16)19(22)25-2/h7-11,21H,3-6H2,1-2H3.
What are the key properties of methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 11516375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).