methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate

C17H18N2O4S — CID 3236225

IUPACmethyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-23-17(20)18-14-8-10-15(11-9-14)24(21,22)19-12-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20)
InChIKeyKFWOEKJSWZENOQ-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.01
Rot. Bonds3

About methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate

methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate (PubChem CID 3236225) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
PubChem CID3236225
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Namemethyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C17H18N2O4S/c1-23-17(20)18-14-8-10-15(11-9-14)24(21,22)19-12-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20)
InChIKeyKFWOEKJSWZENOQ-UHFFFAOYSA-N
XLogP3.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-Tetrahydroquinoline-6-sulfonamide
CID 16227153
N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
CID 720097
3-Methyl-2-Oxo-N-Phenyl-1,2,3,4-Tetrahydroquinazoline-6-Sulfonamide
CID 71271969
N-{4-[(6-fluoro-2-methyl-3,4-dihydro-1(2H)-quinolinyl)sulfonyl]phenyl}acetamide
CID 2931012
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102
Ethyl 4-[(benzylamino)sulfonyl]phenylcarbamate
CID 571682
N-[4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)phenyl]acetamide
CID 749170

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate (CID 3236225) is methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate?
The InChIKey is KFWOEKJSWZENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-23-17(20)18-14-8-10-15(11-9-14)24(21,22)19-12-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-11H,4,6,12H2,1H3,(H,18,20).
What are the key properties of methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate?
methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate has a molecular weight of 346.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate is sourced from PubChem (CID 3236225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).