3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide

C100H75F11N12O16S6 — CID 157340818

IUPAC3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(OC)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1cccc2cccnc12)c1ccc2ccccc2c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14N2O2S.C17H16N2O4S.C16H11F3N2O3S.2C16H11F3N2O2S.C16H12F2N2O3S/c22-24(23,17-11-10-14-5-1-2-6-16(14)13-17)21-18-9-3-7-15-8-4-12-20-19(15)18;1-22-13-8-9-16(15(11-13)23-2)24(20,21)19-14-7-3-5-12-6-4-10-18-17(12)14;17-16(18,19)24-12-6-2-7-13(10-12)25(22,23)21-14-8-1-4-11-5-3-9-20-15(11)14;17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14;17-16(18,19)12-7-1-2-9-14(12)24(22,23)21-13-8-3-5-11-6-4-10-20-15(11)13;17-16(18)23-12-6-2-7-13(10-12)24(21,22)20-14-8-1-4-11-5-3-9-19-15(11)14/h1-13,21H;3-11,19H,1-2H3;1-10,21H;2*1-10,21H;1-10,16,20H
InChIKeyBGJIAVAGVLTJIU-UHFFFAOYSA-N
MW2102.15 g/mol
LogP22.92
Rot. Bonds23

About 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide

3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 157340818) has the molecular formula C100H75F11N12O16S6 and a molecular weight of 2102.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID157340818
Molecular FormulaC100H75F11N12O16S6
Molecular Weight2102.15 g/mol
Exact Mass2100.36
IUPAC Name3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(OC)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1cccc2cccnc12)c1ccc2ccccc2c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H14N2O2S.C17H16N2O4S.C16H11F3N2O3S.2C16H11F3N2O2S.C16H12F2N2O3S/c22-24(23,17-11-10-14-5-1-2-6-16(14)13-17)21-18-9-3-7-15-8-4-12-20-19(15)18;1-22-13-8-9-16(15(11-13)23-2)24(20,21)19-14-7-3-5-12-6-4-10-18-17(12)14;17-16(18,19)24-12-6-2-7-13(10-12)25(22,23)21-14-8-1-4-11-5-3-9-20-15(11)14;17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14;17-16(18,19)12-7-1-2-9-14(12)24(22,23)21-13-8-3-5-11-6-4-10-20-15(11)13;17-16(18)23-12-6-2-7-13(10-12)24(21,22)20-14-8-1-4-11-5-3-9-19-15(11)14/h1-13,21H;3-11,19H,1-2H3;1-10,21H;2*1-10,21H;1-10,16,20H
InChIKeyBGJIAVAGVLTJIU-UHFFFAOYSA-N
XLogP22.92
TPSA391.28 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds23
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002102.15
LogP ≤ 522.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

8,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;11-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;1-methoxy-9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;12-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 158715901
N-(4-methoxyquinolin-8-yl)benzenesulfonamide;N-(5-methylquinolin-8-yl)benzenesulfonamide;N-quinolin-8-ylquinoline-3-sulfonamide;N-quinolin-8-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;N-[5-(trifluoromethyl)quinolin-8-yl]benzenesulfonamide
CID 160260945
8,9-dimethyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-fluoro-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;methane;9-methoxy-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;3-methyl-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;5-methylquinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide;9-(trifluoromethyl)-5H-quinolino[8,7-c][1,2]benzothiazine 6,6-dioxide
CID 161082210
chloro sulfite;2-methyl-N-quinolin-3-yl-5-(trifluoromethoxy)benzenesulfonamide;5-methyl-N-quinolin-3-yl-2-(trifluoromethoxy)benzenesulfonamide;1-methyl-4-(trifluoromethoxy)benzene;2-methyl-5-(trifluoromethoxy)benzenesulfonyl chloride;5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride;quinolin-3-amine
CID 161658271
chloro sulfite;1-fluoro-4-(trifluoromethoxy)benzene;2-methyl-N-quinolin-3-yl-5-(trifluoromethoxy)benzenesulfonamide;5-methyl-N-quinolin-3-yl-2-(trifluoromethoxy)benzenesulfonamide;2-methyl-5-(trifluoromethoxy)benzenesulfonyl chloride;5-methyl-2-(trifluoromethoxy)benzenesulfonyl chloride;quinolin-3-amine
CID 161939060
4-methoxy-N-(5-pyridin-4-ylquinolin-8-yl)benzenesulfonamide;N-(5-phenylquinolin-8-yl)pyridine-3-sulfonamide;N-(5-pyridin-3-ylquinolin-8-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 159404121
2,4-difluoro-N-isoquinolin-5-ylbenzenesulfonamide;3-(difluoromethoxy)-N-isoquinolin-5-ylbenzenesulfonamide;4-fluoro-N-isoquinolin-5-ylbenzenesulfonamide;N-isoquinolin-5-yl-2-methylbenzenesulfonamide;N-isoquinolin-5-ylnaphthalene-2-sulfonamide;N-isoquinolin-5-yl-4-(2-oxopropyl)benzenesulfonamide
CID 161896154

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide (CID 157340818) is 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)c(OC)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1cccc2cccnc12)c1ccc2ccccc2c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1cccc(OC(F)F)c1.O=S(=O)(Nc1cccc2cccnc12)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is BGJIAVAGVLTJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S.C17H16N2O4S.C16H11F3N2O3S.2C16H11F3N2O2S.C16H12F2N2O3S/c22-24(23,17-11-10-14-5-1-2-6-16(14)13-17)21-18-9-3-7-15-8-4-12-20-19(15)18;1-22-13-8-9-16(15(11-13)23-2)24(20,21)19-14-7-3-5-12-6-4-10-18-17(12)14;17-16(18,19)24-12-6-2-7-13(10-12)25(22,23)21-14-8-1-4-11-5-3-9-20-15(11)14;17-16(18,19)12-6-8-13(9-7-12)24(22,23)21-14-5-1-3-11-4-2-10-20-15(11)14;17-16(18,19)12-7-1-2-9-14(12)24(22,23)21-13-8-3-5-11-6-4-10-20-15(11)13;17-16(18)23-12-6-2-7-13(10-12)24(21,22)20-14-8-1-4-11-5-3-9-19-15(11)14/h1-13,21H;3-11,19H,1-2H3;1-10,21H;2*1-10,21H;1-10,16,20H.
What are the key properties of 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide?
3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 2102.15 g/mol, XLogP of 22.92, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-quinolin-8-ylbenzenesulfonamide;2,4-dimethoxy-N-quinolin-8-ylbenzenesulfonamide;N-quinolin-8-ylnaphthalene-2-sulfonamide;N-quinolin-8-yl-3-(trifluoromethoxy)benzenesulfonamide;N-quinolin-8-yl-2-(trifluoromethyl)benzenesulfonamide;N-quinolin-8-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 157340818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).