N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide

C16H13N3O4S — CID 4307070

IUPACN-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H13N3O4S/c1-11-7-8-13(19(20)21)10-14(11)18-24(22,23)15-6-2-4-12-5-3-9-17-16(12)15/h2-10,18H,1H3
InChIKeyPTMJHNIPXAXVST-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.25
Rot. Bonds4

About N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide

N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide (PubChem CID 4307070) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
PubChem CID4307070
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C16H13N3O4S/c1-11-7-8-13(19(20)21)10-14(11)18-24(22,23)15-6-2-4-12-5-3-9-17-16(12)15/h2-10,18H,1H3
InChIKeyPTMJHNIPXAXVST-UHFFFAOYSA-N
XLogP3.25
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.25
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-[5-(hydroxymethyl)-2-methylphenyl]quinoline-8-sulfonamide
CID 3338850
2-methyl-N-(2-methylquinolin-8-yl)-5-nitrobenzenesulfonamide
CID 16759952
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-benzo[h]quinolin-10-yl-2,4-dinitrobenzenesulfonamide
CID 58174439
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
2-chloro-N-(2-methyl-5-nitrophenyl)pyridine-4-sulfonamide
CID 61051309
quinolin-8-yl 2-methyl-4-nitrobenzenesulfonate
CID 37476858
5-nitro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 166208269
N-(3-methyl-4-propan-2-ylphenyl)quinoline-8-sulfonamide
CID 5095146
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide (CID 4307070) is N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide?
The InChIKey is PTMJHNIPXAXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c1-11-7-8-13(19(20)21)10-14(11)18-24(22,23)15-6-2-4-12-5-3-9-17-16(12)15/h2-10,18H,1H3.
What are the key properties of N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide?
N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide has a molecular weight of 343.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)quinoline-8-sulfonamide is sourced from PubChem (CID 4307070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).