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

C62H46F3N9O7S3 — CID 159404121

IUPAC4-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
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1.O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1cccnc1.O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O2S.C21H17N3O3S.C20H15N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19;1-27-16-4-6-17(7-5-16)28(25,26)24-20-9-8-18(15-10-13-22-14-11-15)19-3-2-12-23-21(19)20;24-26(25,16-8-4-12-21-14-16)23-19-11-10-17(15-6-2-1-3-7-15)18-9-5-13-22-20(18)19/h1-13,27H;2-14,24H,1H3;1-14,23H
InChIKeyLNSQWJLKLFGCKD-UHFFFAOYSA-N
MW1182.30 g/mol
LogP13.32
Rot. Bonds13

About 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

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 (PubChem CID 159404121) has the molecular formula C62H46F3N9O7S3 and a molecular weight of 1182.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID159404121
Molecular FormulaC62H46F3N9O7S3
Molecular Weight1182.30 g/mol
Exact Mass1181.26
IUPAC Name4-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
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1.O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1cccnc1.O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H14F3N3O2S.C21H17N3O3S.C20H15N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19;1-27-16-4-6-17(7-5-16)28(25,26)24-20-9-8-18(15-10-13-22-14-11-15)19-3-2-12-23-21(19)20;24-26(25,16-8-4-12-21-14-16)23-19-11-10-17(15-6-2-1-3-7-15)18-9-5-13-22-20(18)19/h1-13,27H;2-14,24H,1H3;1-14,23H
InChIKeyLNSQWJLKLFGCKD-UHFFFAOYSA-N
XLogP13.32
TPSA225.08 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001182.30
LogP ≤ 513.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Related Compounds

4-methoxy-N-(5-pyridin-3-ylquinolin-8-yl)benzenesulfonamide
CID 118873471
N-[5-(4-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
CID 155563395
4-methoxy-N-(5-pyridin-4-ylquinolin-8-yl)benzenesulfonamide
CID 118873468
4-methoxy-N-(5-phenylquinolin-8-yl)benzenesulfonamide
CID 118873475
N-[5-(3-methoxyphenyl)quinolin-8-yl]pyridine-2-sulfonamide
CID 155565369
N-[5-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinoxalin-6-yl]-3-pyridinyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 57843323
N-[5-[3-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]quinoxalin-6-yl]-3-pyridinyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 57843340
N-[5-[3-(1-amino-3-methyliminoprop-1-en-2-yl)quinoxalin-6-yl]-3-pyridinyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 76580938
N-[5-[3-(1-amino-3-methyliminoprop-1-en-2-yl)quinoxalin-6-yl]-3-pyridinyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 76580941
3-fluoro-N-[5-[3-(1-imino-3-methyliminopropan-2-yl)quinoxalin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 90923149
4-(4-fluorophenoxy)-N-[5-[3-(1-imino-3-methyliminopropan-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 91584517
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1.O=S(=O)(Nc1ccc(-c2ccccc2)c2cccnc12)c1cccnc1.O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 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?
The InChIKey is LNSQWJLKLFGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O2S.C21H17N3O3S.C20H15N3O2S/c22-21(23,24)15-5-1-6-16(12-15)30(28,29)27-19-9-8-17(14-4-2-10-25-13-14)18-7-3-11-26-20(18)19;1-27-16-4-6-17(7-5-16)28(25,26)24-20-9-8-18(15-10-13-22-14-11-15)19-3-2-12-23-21(19)20;24-26(25,16-8-4-12-21-14-16)23-19-11-10-17(15-6-2-1-3-7-15)18-9-5-13-22-20(18)19/h1-13,27H;2-14,24H,1H3;1-14,23H.
What are the key properties of 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?
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 has a molecular weight of 1182.30 g/mol, XLogP of 13.32, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159404121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).