phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate

C22H19FN2O4S — CID 18565167

IUPACphenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)Oc1ccccc1
InChIInChI=1S/C22H19FN2O4S/c23-17-9-12-20(13-10-17)30(27,28)25-14-4-5-16-8-11-18(15-21(16)25)24-22(26)29-19-6-2-1-3-7-19/h1-3,6-13,15H,4-5,14H2,(H,24,26)
InChIKeySODAUPCLEJKVBD-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.58
Rot. Bonds4

About phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate

phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate (PubChem CID 18565167) has the molecular formula C22H19FN2O4S and a molecular weight of 426.47 g/mol. Its IUPAC name is phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
PubChem CID18565167
Molecular FormulaC22H19FN2O4S
Molecular Weight426.47 g/mol
Exact Mass426.10
IUPAC Namephenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)Oc1ccccc1
InChIInChI=1S/C22H19FN2O4S/c23-17-9-12-20(13-10-17)30(27,28)25-14-4-5-16-8-11-18(15-21(16)25)24-22(26)29-19-6-2-1-3-7-19/h1-3,6-13,15H,4-5,14H2,(H,24,26)
InChIKeySODAUPCLEJKVBD-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-4-ethoxybenzene-1-sulfonamide
CID 7517554
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-4-methoxybenzenesulfonamide
CID 7586257
(R or S)-3-(1-((4-fluoro-3-methoxyphenyl)sulfonyl)-7-((((1,1,1-trifluoro-2-methylpropan-2-yl)oxy)carbonyl)amino)-1,2,3,4-tetrahydroquinolin-3-yl)propanoic acid
CID 118187539
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(3R)-3-(acetamidomethyl)-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 118187587
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(3S)-3-(acetamidomethyl)-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate
CID 118187835
3-[(3R)-1-(4-fluoro-3-methoxyphenyl)sulfonyl-7-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
CID 122614913
N-(1-Acetyl-1,2,3,4-tetrahydroquinolin-7-YL)-3-fluoro-4-methoxybenzene-1-sulfonamide
CID 7517552
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2,5-dimethoxybenzenesulfonamide
CID 7586263
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 7586264
3-Fluoro-4-methoxy-N-[1-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroquinolin-6-YL]benzene-1-sulfonamide
CID 16028211
3-fluoro-4-methoxy-N-(1-propionyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 42448558
5-fluoro-2-methoxy-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 7517699

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The IUPAC name of phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate (CID 18565167) is phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The canonical SMILES for phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate is O=C(Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate?
The InChIKey is SODAUPCLEJKVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O4S/c23-17-9-12-20(13-10-17)30(27,28)25-14-4-5-16-8-11-18(15-21(16)25)24-22(26)29-19-6-2-1-3-7-19/h1-3,6-13,15H,4-5,14H2,(H,24,26).
What are the key properties of phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate?
phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate has a molecular weight of 426.47 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamate is sourced from PubChem (CID 18565167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).