N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C21H20FN3O3S — CID 39850616

IUPACN-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C21H20FN3O3S/c1-14-12-20(18-13-16(22)6-9-19(18)23-14)24-21(26)15-4-7-17(8-5-15)29(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24,26)
InChIKeyBIHQGTCNALSWQO-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.72
Rot. Bonds4

About N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 39850616) has the molecular formula C21H20FN3O3S and a molecular weight of 413.47 g/mol. Its IUPAC name is N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID39850616
Molecular FormulaC21H20FN3O3S
Molecular Weight413.47 g/mol
Exact Mass413.12
IUPAC NameN-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C21H20FN3O3S/c1-14-12-20(18-13-16(22)6-9-19(18)23-14)24-21(26)15-4-7-17(8-5-15)29(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24,26)
InChIKeyBIHQGTCNALSWQO-UHFFFAOYSA-N
XLogP3.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
4-fluoro-N-(2-fluoro-4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18893490
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 108807916
N-(4-fluoro-2-methylphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 26239772
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
4-(azepan-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 2701476
N-(3,5-dimethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2710141

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 39850616) is N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is BIHQGTCNALSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3S/c1-14-12-20(18-13-16(22)6-9-19(18)23-14)24-21(26)15-4-7-17(8-5-15)29(27,28)25-10-2-3-11-25/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,24,26).
What are the key properties of N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 413.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 39850616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).