N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

C20H17Cl2NO4S2 — CID 14611924

IUPACN-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H17Cl2NO4S2/c1-14-6-10-16(11-7-14)28(24,25)23(20-18(21)4-3-5-19(20)22)29(26,27)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKeyXYTMFDCHWGDFLJ-UHFFFAOYSA-N
MW470.40 g/mol
LogP5.19
Rot. Bonds5

About N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide

N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (PubChem CID 14611924) has the molecular formula C20H17Cl2NO4S2 and a molecular weight of 470.40 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
PubChem CID14611924
Molecular FormulaC20H17Cl2NO4S2
Molecular Weight470.40 g/mol
Exact Mass469.00
IUPAC NameN-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H17Cl2NO4S2/c1-14-6-10-16(11-7-14)28(24,25)23(20-18(21)4-3-5-19(20)22)29(26,27)17-12-8-15(2)9-13-17/h3-13H,1-2H3
InChIKeyXYTMFDCHWGDFLJ-UHFFFAOYSA-N
XLogP5.19
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichloro-4-hydroxynaphthalen-1-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 15445841
4-chloro-N-(3-chloro-2-methylphenyl)-N-(4-chlorophenyl)sulfonylbenzenesulfonamide
CID 4277205
N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 4313389
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 1127294
N-[(2,6-dichlorophenyl)methyl]-4-methyl-N-phenylbenzenesulfonamide
CID 3975457
sodium;N,N-dichloro-4-methylbenzenesulfonamide;hydride
CID 173126628
4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
CID 11165697
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(2,6-dichlorophenyl)-N-(4-methylphenyl)formamide
CID 86175023

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The IUPAC name of N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide (CID 14611924) is N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
The InChIKey is XYTMFDCHWGDFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S2/c1-14-6-10-16(11-7-14)28(24,25)23(20-18(21)4-3-5-19(20)22)29(26,27)17-12-8-15(2)9-13-17/h3-13H,1-2H3.
What are the key properties of N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide?
N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide has a molecular weight of 470.40 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 14611924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).