N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide

C23H21FN2O3S — CID 27476815

IUPACN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H21FN2O3S/c1-16-14-19(24)10-12-22(16)30(28,29)25-20-11-9-17-8-5-13-26(21(17)15-20)23(27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3
InChIKeyUTAYHGYVSMVVRB-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.53
Rot. Bonds4

About N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 27476815) has the molecular formula C23H21FN2O3S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID27476815
Molecular FormulaC23H21FN2O3S
Molecular Weight424.50 g/mol
Exact Mass424.13
IUPAC NameN-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2
InChIInChI=1S/C23H21FN2O3S/c1-16-14-19(24)10-12-22(16)30(28,29)25-20-11-9-17-8-5-13-26(21(17)15-20)23(27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3
InChIKeyUTAYHGYVSMVVRB-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
N-[4-[(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)sulfamoyl]phenyl]propanamide
CID 27605044
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
2-methyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517678
[7-[(2,4-difluorophenyl)sulfonylamino]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl benzoate
CID 175772398
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-3-chloro-4-methoxybenzenesulfonamide
CID 42448544
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-5-methoxy-2-methylbenzenesulfonamide
CID 175256047
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,5-difluorobenzenesulfonamide
CID 43990471
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethylbenzenesulfonamide
CID 18565172
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
7-[[4-(2,3-dihydroindole-1-carbonyl)phenyl]sulfamoyl]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 139000538

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 27476815) is N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2.
What is the InChIKey of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is UTAYHGYVSMVVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3S/c1-16-14-19(24)10-12-22(16)30(28,29)25-20-11-9-17-8-5-13-26(21(17)15-20)23(27)18-6-3-2-4-7-18/h2-4,6-7,9-12,14-15,25H,5,8,13H2,1H3.
What are the key properties of N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 424.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 27476815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).