4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

C20H20N2O4S3 — CID 18578092

IUPAC4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1
InChIInChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)28(23,24)21-17-9-8-16-4-2-12-22(19(16)14-17)29(25,26)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKeyDHDPYMYHOODPNH-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.00
Rot. Bonds5

About 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide

4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (PubChem CID 18578092) has the molecular formula C20H20N2O4S3 and a molecular weight of 448.59 g/mol. Its IUPAC name is 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
PubChem CID18578092
Molecular FormulaC20H20N2O4S3
Molecular Weight448.59 g/mol
Exact Mass448.06
IUPAC Name4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1
InChIInChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)28(23,24)21-17-9-8-16-4-2-12-22(19(16)14-17)29(25,26)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3
InChIKeyDHDPYMYHOODPNH-UHFFFAOYSA-N
XLogP4.00
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide (CID 18578092) is 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1.
What is the InChIKey of 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
The InChIKey is DHDPYMYHOODPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S3/c1-15-6-10-18(11-7-15)28(23,24)21-17-9-8-16-4-2-12-22(19(16)14-17)29(25,26)20-5-3-13-27-20/h3,5-11,13-14,21H,2,4,12H2,1H3.
What are the key properties of 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide?
4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide has a molecular weight of 448.59 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide is sourced from PubChem (CID 18578092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).