4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide

C32H32N2O4S2 — CID 71605108

IUPAC4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)c3cccc(C(C)C)c32)cc1
InChIInChI=1S/C32H32N2O4S2/c1-23(2)29-11-8-12-30-31(21-22-33(32(29)30)39(35,36)27-17-13-24(3)14-18-27)34(26-9-6-5-7-10-26)40(37,38)28-19-15-25(4)16-20-28/h5-21,23H,22H2,1-4H3
InChIKeyOBWUOQPZZWKWDG-UHFFFAOYSA-N
MW572.75 g/mol
LogP6.87
Rot. Bonds7

About 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide

4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide (PubChem CID 71605108) has the molecular formula C32H32N2O4S2 and a molecular weight of 572.75 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
PubChem CID71605108
Molecular FormulaC32H32N2O4S2
Molecular Weight572.75 g/mol
Exact Mass572.18
IUPAC Name4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CC=C(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)c3cccc(C(C)C)c32)cc1
InChIInChI=1S/C32H32N2O4S2/c1-23(2)29-11-8-12-30-31(21-22-33(32(29)30)39(35,36)27-17-13-24(3)14-18-27)34(26-9-6-5-7-10-26)40(37,38)28-19-15-25(4)16-20-28/h5-21,23H,22H2,1-4H3
InChIKeyOBWUOQPZZWKWDG-UHFFFAOYSA-N
XLogP6.87
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.75
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-methoxy-2H-chromen-4-yl)-4-methyl-N-phenylbenzenesulfonamide
CID 142711780
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
3-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)propanoic acid
CID 50893700
4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
CID 155907206
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 34885089
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
CID 12023220
N-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 146522187
1-(4-methylphenyl)sulfonyl-2-[(1S)-1-phenylethyl]sulfanyl-4,5-dihydroimidazole
CID 2148605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide (CID 71605108) is 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N2CC=C(N(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)c3cccc(C(C)C)c32)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide?
The InChIKey is OBWUOQPZZWKWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4S2/c1-23(2)29-11-8-12-30-31(21-22-33(32(29)30)39(35,36)27-17-13-24(3)14-18-27)34(26-9-6-5-7-10-26)40(37,38)28-19-15-25(4)16-20-28/h5-21,23H,22H2,1-4H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide?
4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide has a molecular weight of 572.75 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-8-propan-2-yl-2H-quinolin-4-yl]-N-phenylbenzenesulfonamide is sourced from PubChem (CID 71605108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).