4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide

C25H22N2O4S2 — CID 135022477

IUPAC4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2-c2ccccn2)cc1
InChIInChI=1S/C25H22N2O4S2/c1-18-6-10-20(11-7-18)32(28,29)22-14-15-25(23(17-22)24-5-3-4-16-26-24)27-33(30,31)21-12-8-19(2)9-13-21/h3-17,27H,1-2H3
InChIKeyGITLRAQIIJEKJS-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.00
Rot. Bonds6

About 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide

4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide (PubChem CID 135022477) has the molecular formula C25H22N2O4S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide
PubChem CID135022477
Molecular FormulaC25H22N2O4S2
Molecular Weight478.60 g/mol
Exact Mass478.10
IUPAC Name4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2-c2ccccn2)cc1
InChIInChI=1S/C25H22N2O4S2/c1-18-6-10-20(11-7-18)32(28,29)22-14-15-25(23(17-22)24-5-3-4-16-26-24)27-33(30,31)21-12-8-19(2)9-13-21/h3-17,27H,1-2H3
InChIKeyGITLRAQIIJEKJS-UHFFFAOYSA-N
XLogP5.00
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-(2-(Methylsulfonyl)-2-(4-(methylsulfonyl)phenyl)ethyl)phenyl)-6-(2-(methylsulfonyl)propan-2-yl)quinoline
CID 10232061
8-(3''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10254542
8-(4''-Methanesulfonyl-biphenyl-3-yl)-6-(1-methanesulfonyl-1-methyl-ethyl)-quinoline
CID 10390387
N-{3-[2-(2-pyridinyl)ethyl]phenyl}-2-naphthalenesulfonamide
CID 1327896
{4-[(2-Pyridin-3-ylpiperidin-1-yl)sulfonyl]phenyl}amine
CID 2770922
N,N-diethyl-3-[(4-methylphenyl)sulfonyl]quinolin-4-amine
CID 5640487
N-Benzyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine
CID 7184909
3-(4-Methanesulfonyl-phenyl)-2-phenyl-pyridine
CID 9926659
3-(4-Methanesulfonyl-phenyl)-5-methyl-[2,3'']bipyridinyl
CID 9967049
(E)-N-methyl-3-(4-methylsulfonylphenyl)-N-[4-(2-pyridin-2-ylethylsulfamoyl)phenyl]prop-2-enamide
CID 15049709
8-(benzenesulfonyl)-2-methyl-5-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 45113658
2-(benzenesulfonyl)-N-methyl-5-pyridin-3-ylaniline
CID 68014784

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide (CID 135022477) is 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(C)cc3)cc2-c2ccccn2)cc1.
What is the InChIKey of 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide?
The InChIKey is GITLRAQIIJEKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4S2/c1-18-6-10-20(11-7-18)32(28,29)22-14-15-25(23(17-22)24-5-3-4-16-26-24)27-33(30,31)21-12-8-19(2)9-13-21/h3-17,27H,1-2H3.
What are the key properties of 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide?
4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide has a molecular weight of 478.60 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(4-methylphenyl)sulfonyl-2-pyridin-2-ylphenyl]benzenesulfonamide is sourced from PubChem (CID 135022477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).