N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide

C18H15FN2O3S — CID 167781421

IUPACN-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)c2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-12-6-7-13(16(19)10-12)11-25(23,24)21-18(22)15-8-9-20-17-5-3-2-4-14(15)17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCCVPWJUQUWEZMI-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.94
Rot. Bonds4

About N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide

N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide (PubChem CID 167781421) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide
PubChem CID167781421
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC NameN-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide
SMILESCc1ccc(CS(=O)(=O)NC(=O)c2ccnc3ccccc23)c(F)c1
InChIInChI=1S/C18H15FN2O3S/c1-12-6-7-13(16(19)10-12)11-25(23,24)21-18(22)15-8-9-20-17-5-3-2-4-14(15)17/h2-10H,11H2,1H3,(H,21,22)
InChIKeyCCVPWJUQUWEZMI-UHFFFAOYSA-N
XLogP2.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-pyrimidin-2-ylmethanesulfonamide
CID 131962997
N-(2-bromo-5-methylphenyl)quinoline-4-carboxamide
CID 82712316
(2,4-dimethylphenyl)-quinolin-4-ylmethanone
CID 86811186
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
1-(2-amino-5-methylphenyl)-2-quinolin-4-ylethanone
CID 116581336
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-ethyl-2-[(2-fluoro-5-methylphenyl)sulfonylamino]quinoline-4-carboxamide
CID 71907413
N-(4-bromo-3-fluorophenyl)quinoline-4-carboxamide
CID 79012185
methyl 2,4-difluoro-5-(quinoline-4-carbonylamino)benzoate
CID 78845060
2-(3-methylphenyl)-N-(quinolin-4-ylmethyl)acetamide
CID 110734253
5-methyl-2-(quinolin-5-ylsulfonylamino)benzoic acid
CID 51134356

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide (CID 167781421) is N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide is Cc1ccc(CS(=O)(=O)NC(=O)c2ccnc3ccccc23)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide?
The InChIKey is CCVPWJUQUWEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-12-6-7-13(16(19)10-12)11-25(23,24)21-18(22)15-8-9-20-17-5-3-2-4-14(15)17/h2-10H,11H2,1H3,(H,21,22).
What are the key properties of N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide?
N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methylphenyl)methylsulfonyl]quinoline-4-carboxamide is sourced from PubChem (CID 167781421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).