N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide

C16H12FN3O4S — CID 31046434

IUPACN-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cccc2c1
InChIInChI=1S/C16H12FN3O4S/c1-10-7-11-3-2-4-15(16(11)18-9-10)25(23,24)19-12-5-6-13(17)14(8-12)20(21)22/h2-9,19H,1H3
InChIKeyKHFQMRPJDPIWOK-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.39
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide

N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide (PubChem CID 31046434) has the molecular formula C16H12FN3O4S and a molecular weight of 361.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
PubChem CID31046434
Molecular FormulaC16H12FN3O4S
Molecular Weight361.35 g/mol
Exact Mass361.05
IUPAC NameN-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cccc2c1
InChIInChI=1S/C16H12FN3O4S/c1-10-7-11-3-2-4-15(16(11)18-9-10)25(23,24)19-12-5-6-13(17)14(8-12)20(21)22/h2-9,19H,1H3
InChIKeyKHFQMRPJDPIWOK-UHFFFAOYSA-N
XLogP3.39
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046446
3-methyl-N-(2,3,4-trifluorophenyl)quinoline-8-sulfonamide
CID 25333424
N-(4-methoxyphenyl)-3-methylquinoline-8-sulfonamide
CID 31046324
N-(3-iodophenyl)-3-methylquinoline-8-sulfonamide
CID 31690873
N-(2-fluoro-4-methylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046482
N-(4-acetylphenyl)-3-methylquinoline-8-sulfonamide
CID 31670142
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide
CID 4599069
N-(2,4-dimethylphenyl)-3-methylquinoline-8-sulfonamide
CID 31046311
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinoline-8-sulfonamide
CID 31046759
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide (CID 31046434) is N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cccc2c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide?
The InChIKey is KHFQMRPJDPIWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O4S/c1-10-7-11-3-2-4-15(16(11)18-9-10)25(23,24)19-12-5-6-13(17)14(8-12)20(21)22/h2-9,19H,1H3.
What are the key properties of N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide?
N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide has a molecular weight of 361.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-3-methylquinoline-8-sulfonamide is sourced from PubChem (CID 31046434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).