N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide

C19H20N2O3S — CID 113317123

IUPACN-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C19H20N2O3S/c1-15-9-10-18(17-8-5-11-20-19(15)17)25(23,24)21(12-13-22)14-16-6-3-2-4-7-16/h2-11,22H,12-14H2,1H3
InChIKeyPWOQYDZXDQJNPQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.73
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide

N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide (PubChem CID 113317123) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
PubChem CID113317123
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c2cccnc12
InChIInChI=1S/C19H20N2O3S/c1-15-9-10-18(17-8-5-11-20-19(15)17)25(23,24)21(12-13-22)14-16-6-3-2-4-7-16/h2-11,22H,12-14H2,1H3
InChIKeyPWOQYDZXDQJNPQ-UHFFFAOYSA-N
XLogP2.73
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-8-methylquinoline-5-sulfonamide
CID 120664348
N-ethyl-8-methyl-N-(2-methylprop-2-enyl)quinoline-5-sulfonamide
CID 46556061
ethyl 2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetate
CID 52708492
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
5-amino-N-ethyl-N-(2-hydroxyethyl)quinoline-8-sulfonamide
CID 104850383
N-(2-bromoethyl)-8-methyl-N-propan-2-ylquinoline-5-sulfonamide
CID 104774193
3-[methyl-(8-methylquinolin-5-yl)sulfonylamino]propanimidamide
CID 104774337
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
N-(2-methoxyphenyl)-2-[(8-methylquinolin-5-yl)sulfonyl-propylamino]acetamide
CID 46634659
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide (CID 113317123) is N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)c2cccnc12.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide?
The InChIKey is PWOQYDZXDQJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-15-9-10-18(17-8-5-11-20-19(15)17)25(23,24)21(12-13-22)14-16-6-3-2-4-7-16/h2-11,22H,12-14H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide?
N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 113317123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).