5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

C21H23N3O3S — CID 175255812

IUPAC5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3n2cccc2)c1
InChIInChI=1S/C21H23N3O3S/c1-16-7-9-19(27-2)15-21(16)28(25,26)22-18-8-10-20-17(14-18)6-5-13-24(20)23-11-3-4-12-23/h3-4,7-12,14-15,22H,5-6,13H2,1-2H3
InChIKeyRDYNWUJBRRDUMV-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.82
Rot. Bonds5

About 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide

5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (PubChem CID 175255812) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
PubChem CID175255812
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3n2cccc2)c1
InChIInChI=1S/C21H23N3O3S/c1-16-7-9-19(27-2)15-21(16)28(25,26)22-18-8-10-20-17(14-18)6-5-13-24(20)23-11-3-4-12-23/h3-4,7-12,14-15,22H,5-6,13H2,1-2H3
InChIKeyRDYNWUJBRRDUMV-UHFFFAOYSA-N
XLogP3.82
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The IUPAC name of 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide (CID 175255812) is 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide.
What is the SMILES notation for 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The canonical SMILES for 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is COc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3n2cccc2)c1.
What is the InChIKey of 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
The InChIKey is RDYNWUJBRRDUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-16-7-9-19(27-2)15-21(16)28(25,26)22-18-8-10-20-17(14-18)6-5-13-24(20)23-11-3-4-12-23/h3-4,7-12,14-15,22H,5-6,13H2,1-2H3.
What are the key properties of 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide?
5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(1-pyrrol-1-yl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide is sourced from PubChem (CID 175255812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).