1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

C18H22N2O4S2 — CID 112506000

IUPAC1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S2/c1-14-5-7-15(8-6-14)13-26(23,24)19-17-9-10-18-16(12-17)4-3-11-20(18)25(2,21)22/h5-10,12,19H,3-4,11,13H2,1-2H3
InChIKeyVKYVAZQSKFPNLV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.65
Rot. Bonds5

About 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide

1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (PubChem CID 112506000) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
PubChem CID112506000
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
SMILESCc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1
InChIInChI=1S/C18H22N2O4S2/c1-14-5-7-15(8-6-14)13-26(23,24)19-17-9-10-18-16(12-17)4-3-11-20(18)25(2,21)22/h5-10,12,19H,3-4,11,13H2,1-2H3
InChIKeyVKYVAZQSKFPNLV-UHFFFAOYSA-N
XLogP2.65
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-1-(4-methylphenyl)methanesulfonamide
CID 42448641
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propanamide
CID 110303774
1-(4-methylphenyl)-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110639856
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)propane-2-sulfonamide
CID 7635711
1-methylsulfonyl-N-(propan-2-ylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623287
1-methylsulfonyl-N-(propylsulfamoyl)-3,4-dihydro-2H-quinolin-6-amine
CID 110623286
1-(2,5-dimethylphenyl)-N-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide
CID 43955953
6-(2,2-dimethylpropyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 166559541
N-[1-(2-cyclopropylcyclopropyl)-2-oxo-3,4-dihydroquinolin-6-yl]-1-(4-methylphenyl)methanesulfonamide
CID 122457011
methyl N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 7658093
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide (CID 112506000) is 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CCCN3S(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
The InChIKey is VKYVAZQSKFPNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-14-5-7-15(8-6-14)13-26(23,24)19-17-9-10-18-16(12-17)4-3-11-20(18)25(2,21)22/h5-10,12,19H,3-4,11,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide?
1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 112506000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).