4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

C23H24N2O4S2 — CID 18578083

IUPAC4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-5-11-21(12-6-17)30(26,27)24-20-10-9-19-4-3-15-25(23(19)16-20)31(28,29)22-13-7-18(2)8-14-22/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyVHFSUCOCNQUNHX-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.25
Rot. Bonds5

About 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide

4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (PubChem CID 18578083) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
PubChem CID18578083
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-5-11-21(12-6-17)30(26,27)24-20-10-9-19-4-3-15-25(23(19)16-20)31(28,29)22-13-7-18(2)8-14-22/h5-14,16,24H,3-4,15H2,1-2H3
InChIKeyVHFSUCOCNQUNHX-UHFFFAOYSA-N
XLogP4.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2078021
4-(3,4-dihydroquinolin-1(2H)-ylsulfonyl)aniline
CID 221221
N-{4-[4-(3-ethanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10005953
4-methyl-N-(4-{4-[3-(propane-2-sulfonylamino)-phenyl]-piperazin-1-yl}-butyl)-benzenesulfonamide
CID 10369020
N-{4-[4-(3-methanesulfonylamino-phenyl)-piperazin-1-yl]-butyl}-4-methyl-benzenesulfonamide
CID 10435294
10-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-10H-9-thia-10-aza-phenanthrene 9,9-dioxide
CID 15710746
N-(1-acetyl-1,2,3,4-tetrahydroquinolin-7-yl)benzenesulfonamide
CID 16823330
Naphthalene-2-sulfonic acid [3-(4-methylpiperazin-1-yl)phenyl]amide
CID 18180076
N-[[4-(diethylamino)phenyl]methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 71584410
1-Tosyl-1,2,3,4-tetrahydroquinoline
CID 726531
N-Cyclopropyl-4-(3,4-dihydro-2H-quinoline-1-sulfonyl)-benzenesulfonamide
CID 645771
N1,4-dimethyl-N1-(4-{[(4-methylphenyl)sulfonyl]amino}phenyl)benzene-1-sulfonamide
CID 2802106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide (CID 18578083) is 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(C)cc2)CCC3)cc1.
What is the InChIKey of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
The InChIKey is VHFSUCOCNQUNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17-5-11-21(12-6-17)30(26,27)24-20-10-9-19-4-3-15-25(23(19)16-20)31(28,29)22-13-7-18(2)8-14-22/h5-14,16,24H,3-4,15H2,1-2H3.
What are the key properties of 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide?
4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide is sourced from PubChem (CID 18578083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).