5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide

C19H19FN2O3S — CID 166356095

IUPAC5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCCN3)oc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O3S/c1-12-16-10-15(20)5-7-18(16)25-19(12)26(23,24)22-11-13-4-6-17-14(9-13)3-2-8-21-17/h4-7,9-10,21-22H,2-3,8,11H2,1H3
InChIKeyQDHRDVXDJUYHLO-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.72
Rot. Bonds4

About 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide

5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide (PubChem CID 166356095) has the molecular formula C19H19FN2O3S and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide
PubChem CID166356095
Molecular FormulaC19H19FN2O3S
Molecular Weight374.44 g/mol
Exact Mass374.11
IUPAC Name5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide
SMILESCc1c(S(=O)(=O)NCc2ccc3c(c2)CCCN3)oc2ccc(F)cc12
InChIInChI=1S/C19H19FN2O3S/c1-12-16-10-15(20)5-7-18(16)25-19(12)26(23,24)22-11-13-4-6-17-14(9-13)3-2-8-21-17/h4-7,9-10,21-22H,2-3,8,11H2,1H3
InChIKeyQDHRDVXDJUYHLO-UHFFFAOYSA-N
XLogP3.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide with MolForge

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 62056573
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 106402225
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 43363863
4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 69083028
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110918572
N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-sulfonamide
CID 63303324
1,2,3,4-tetrahydroquinolin-6-ylmethanesulfonamide
CID 131363132
2,2,2-trifluoro-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 61150769
5-fluoro-N,3-dimethyl-N-pyrazin-2-yl-1-benzofuran-2-sulfonamide
CID 167978826
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-fluoro-2-methylbenzenesulfonamide
CID 110787117

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide?
The IUPAC name of 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide (CID 166356095) is 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide?
The canonical SMILES for 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide is Cc1c(S(=O)(=O)NCc2ccc3c(c2)CCCN3)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide?
The InChIKey is QDHRDVXDJUYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3S/c1-12-16-10-15(20)5-7-18(16)25-19(12)26(23,24)22-11-13-4-6-17-14(9-13)3-2-8-21-17/h4-7,9-10,21-22H,2-3,8,11H2,1H3.
What are the key properties of 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide?
5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide has a molecular weight of 374.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-benzofuran-2-sulfonamide is sourced from PubChem (CID 166356095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).