benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate

C23H22N2O4S — CID 18584175

IUPACbenzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H22N2O4S/c26-23(29-17-18-8-3-1-4-9-18)24-20-13-14-22-19(16-20)10-7-15-25(22)30(27,28)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,24,26)
InChIKeyFNBXFVJKMFOFPO-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.58
Rot. Bonds5

About benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate

benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate (PubChem CID 18584175) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
PubChem CID18584175
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Namebenzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESO=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H22N2O4S/c26-23(29-17-18-8-3-1-4-9-18)24-20-13-14-22-19(16-20)10-7-15-25(22)30(27,28)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,24,26)
InChIKeyFNBXFVJKMFOFPO-UHFFFAOYSA-N
XLogP4.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-Acryloylamino-benzenesulfonyl)-piperidin-4-yl]-carbamic acid benzyl ester
CID 52939643
benzyl N-[[1-[4-(prop-2-enoylamino)phenyl]sulfonylpiperidin-4-yl]methyl]carbamate
CID 52939774
[4-(4-Acryloylamino-piperidine-1-sulfonyl)-phenyl]carbamic acid benzyl ester
CID 71449433
benzyl N-[4-(4-prop-2-enoylpiperazin-1-yl)sulfonylphenyl]carbamate
CID 56953732
benzyl N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 71449434
Benzyl 4-[[5-(benzylsulfamoyl)naphthalen-1-yl]amino]piperidine-1-carboxylate;hydrochloride
CID 164616075
Phenyl (1-tosyl-1,2,3,4-tetrahydroquinolin-6-yl)carbamate
CID 16831221
benzyl N-[4-(1,1-dioxothiazinan-2-yl)phenyl]carbamate
CID 7584602
Methyl (1-tosyl-1,2,3,4-tetrahydroquinolin-6-yl)carbamate
CID 7657735
1'-(4-fluorophenyl)sulfonylspiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one
CID 155902705
benzyl N-[(1R)-2-[3-(aminomethyl)anilino]-1-[1-(benzenesulfonyl)piperidin-4-yl]-2-oxoethyl]carbamate
CID 177665248
N-(4-fluoro-3-methylphenyl)-1-methyl-2-oxo-4H-3,1-benzoxazine-7-sulfonamide
CID 57385411

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The IUPAC name of benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate (CID 18584175) is benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The canonical SMILES for benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate is O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The InChIKey is FNBXFVJKMFOFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23(29-17-18-8-3-1-4-9-18)24-20-13-14-22-19(16-20)10-7-15-25(22)30(27,28)21-11-5-2-6-12-21/h1-6,8-9,11-14,16H,7,10,15,17H2,(H,24,26).
What are the key properties of benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate?
benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate has a molecular weight of 422.51 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamate is sourced from PubChem (CID 18584175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).