N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

C26H30N2O4S2 — CID 17264573

IUPACN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1C
InChIInChI=1S/C26H30N2O4S2/c1-17-18(2)20(4)26(21(5)19(17)3)33(29,30)27-23-12-14-24(15-13-23)34(31,32)28-16-8-10-22-9-6-7-11-25(22)28/h6-7,9,11-15,27H,8,10,16H2,1-5H3
InChIKeyBWGOKKDETWQCMW-UHFFFAOYSA-N
MW498.67 g/mol
LogP5.17
Rot. Bonds5

About N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide

N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 17264573) has the molecular formula C26H30N2O4S2 and a molecular weight of 498.67 g/mol. Its IUPAC name is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID17264573
Molecular FormulaC26H30N2O4S2
Molecular Weight498.67 g/mol
Exact Mass498.16
IUPAC NameN-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1C
InChIInChI=1S/C26H30N2O4S2/c1-17-18(2)20(4)26(21(5)19(17)3)33(29,30)27-23-12-14-24(15-13-23)34(31,32)28-16-8-10-22-9-6-7-11-25(22)28/h6-7,9,11-15,27H,8,10,16H2,1-5H3
InChIKeyBWGOKKDETWQCMW-UHFFFAOYSA-N
XLogP5.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide with MolForge

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Related Compounds

4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]pyrrolidine-1-carboxamide
CID 22583370
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
2-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990514
1-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-(2,3-dimethylphenyl)thiourea
CID 25237345
ethyl 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 7938499
ethyl 4-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]benzoate
CID 25237394
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-chloro-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 20962746
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-iodobenzamide
CID 17320464

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 17264573) is N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1C.
What is the InChIKey of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is BWGOKKDETWQCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S2/c1-17-18(2)20(4)26(21(5)19(17)3)33(29,30)27-23-12-14-24(15-13-23)34(31,32)28-16-8-10-22-9-6-7-11-25(22)28/h6-7,9,11-15,27H,8,10,16H2,1-5H3.
What are the key properties of N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 498.67 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 17264573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).