N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide

C18H22N2O4S2 — CID 20963049

IUPACN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-methylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChIInChI=1S/C18H22N2O4S2/c1-3-25(21,22)20-12-4-5-15-8-9-16(13-18(15)20)19-26(23,24)17-10-6-14(2)7-11-17/h6-11,13,19H,3-5,12H2,1-2H3
InChIKeyZIISKYAGVOBRNC-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.70
Rot. Bonds5

About N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide

N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide (PubChem CID 20963049) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide
PubChem CID20963049
Molecular FormulaC18H22N2O4S2
Molecular Weight394.50 g/mol
Exact Mass394.10
IUPAC NameN-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-methylbenzenesulfonamide
SMILESCCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C
InChIInChI=1S/C18H22N2O4S2/c1-3-25(21,22)20-12-4-5-15-8-9-16(13-18(15)20)19-26(23,24)17-10-6-14(2)7-11-17/h6-11,13,19H,3-5,12H2,1-2H3
InChIKeyZIISKYAGVOBRNC-UHFFFAOYSA-N
XLogP2.70
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity673

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide with MolForge

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Related Compounds

1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
4-[2-[[4-(Dimethylamino)phenyl]methylamino]ethyl]benzenesulfonamide
CID 4723880
ST50831294
CID 777204
4-ethyl-N-{4-methyl-3-[(methylsulfonyl)amino]phenyl}benzenesulfonamide
CID 2811614
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)thiophene-2-sulfonamide
CID 20963034
1-(Phenylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 225584
N-{4-[4-(3-ethanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10005953
4-methyl-N-(4-{4-[3-(propane-2-sulfonylamino)-phenyl]-piperazin-1-yl}-butyl)-benzenesulfonamide
CID 10369020
N-{4-[4-(3-methanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10435294
4-butyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 11163741
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330

Frequently Asked Questions

What is the IUPAC name of N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide (CID 20963049) is N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide is CCS(=O)(=O)N1CCCC2=C1C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C.
What is the InChIKey of N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide?
The InChIKey is ZIISKYAGVOBRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-3-25(21,22)20-12-4-5-15-8-9-16(13-18(15)20)19-26(23,24)17-10-6-14(2)7-11-17/h6-11,13,19H,3-5,12H2,1-2H3.
What are the key properties of N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide?
N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-(ethylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 20963049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).