3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide

C18H22N2O4S2 — CID 71850838

IUPAC3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
SMILESCCCC1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S2/c1-2-6-15-12-11-14-7-3-4-10-18(14)20(15)26(23,24)17-9-5-8-16(13-17)25(19,21)22/h3-5,7-10,13,15H,2,6,11-12H2,1H3,(H2,19,21,22)
InChIKeyIFHGMOVPTPDNLH-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.64
Rot. Bonds5

About 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide

3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide (PubChem CID 71850838) has the molecular formula C18H22N2O4S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
PubChem CID71850838
Molecular FormulaC18H22N2O4S2
Molecular Weight394.52 g/mol
Exact Mass394.10
IUPAC Name3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide
SMILESCCCC1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H22N2O4S2/c1-2-6-15-12-11-14-7-3-4-10-18(14)20(15)26(23,24)17-9-5-8-16(13-17)25(19,21)22/h3-5,7-10,13,15H,2,6,11-12H2,1H3,(H2,19,21,22)
InChIKeyIFHGMOVPTPDNLH-UHFFFAOYSA-N
XLogP2.64
TPSA97.54 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]benzenesulfonamide
CID 31773246
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
(2S)-1-(3,4-difluorophenyl)sulfonyl-2-methyl-3,4-dihydro-2H-quinoline
CID 8500012
3-[(2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methylbenzonitrile
CID 75468333
(5-methylsulfonylfuran-2-yl)-[(2S)-2-propyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 97027443
5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]pyridin-2-amine
CID 62162302
benzene-1,3-disulfonamide
CID 3090044
2-ethyl-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 75430838
(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
CID 102479708
4-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenol
CID 43135503
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
1-(3-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 6462869

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide?
The IUPAC name of 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide (CID 71850838) is 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide.
What is the SMILES notation for 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide?
The canonical SMILES for 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide is CCCC1CCc2ccccc2N1S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide?
The InChIKey is IFHGMOVPTPDNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S2/c1-2-6-15-12-11-14-7-3-4-10-18(14)20(15)26(23,24)17-9-5-8-16(13-17)25(19,21)22/h3-5,7-10,13,15H,2,6,11-12H2,1H3,(H2,19,21,22).
What are the key properties of 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide?
3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide has a molecular weight of 394.52 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzenesulfonamide is sourced from PubChem (CID 71850838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).