4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide

C16H17FN2O2S — CID 69083028

IUPAC4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)NCCC2
InChIInChI=1S/C16H17FN2O2S/c1-11-9-12-3-2-8-18-16(12)10-15(11)19-22(20,21)14-6-4-13(17)5-7-14/h4-7,9-10,18-19H,2-3,8H2,1H3
InChIKeyLSDUMBVPNCHYBE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.29
Rot. Bonds3

About 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide

4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (PubChem CID 69083028) has the molecular formula C16H17FN2O2S and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
PubChem CID69083028
Molecular FormulaC16H17FN2O2S
Molecular Weight320.39 g/mol
Exact Mass320.10
IUPAC Name4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
SMILESCc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)NCCC2
InChIInChI=1S/C16H17FN2O2S/c1-11-9-12-3-2-8-18-16(12)10-15(11)19-22(20,21)14-6-4-13(17)5-7-14/h4-7,9-10,18-19H,2-3,8H2,1H3
InChIKeyLSDUMBVPNCHYBE-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
N-(2-bromo-5-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 107626863
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 29080528
8-methyl-9-(sulfinatoamino)-1,2,3,4,5,6-hexahydro-1-benzazocine
CID 20650568
N-(4-fluoro-2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325639
N',N'-dimethyl-1,2,3,4-tetrahydroquinoline-6-sulfonohydrazide
CID 83026660
3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 2341479
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-(4-fluoro-2-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 7667496
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide (CID 69083028) is 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is Cc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)NCCC2.
What is the InChIKey of 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
The InChIKey is LSDUMBVPNCHYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2S/c1-11-9-12-3-2-8-18-16(12)10-15(11)19-22(20,21)14-6-4-13(17)5-7-14/h4-7,9-10,18-19H,2-3,8H2,1H3.
What are the key properties of 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide?
4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(6-methyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 69083028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).