N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide

C20H18Cl2N2O4S2 — CID 22202667

IUPACN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-13-3-4-14(2)20(11-13)30(27,28)23-15-5-8-17(9-6-15)29(25,26)24-16-7-10-18(21)19(22)12-16/h3-12,23-24H,1-2H3
InChIKeyCLXFRYRYISKDLQ-UHFFFAOYSA-N
MW485.41 g/mol
LogP5.21
Rot. Bonds6

About N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide

N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22202667) has the molecular formula C20H18Cl2N2O4S2 and a molecular weight of 485.41 g/mol. Its IUPAC name is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22202667
Molecular FormulaC20H18Cl2N2O4S2
Molecular Weight485.41 g/mol
Exact Mass484.01
IUPAC NameN-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1
InChIInChI=1S/C20H18Cl2N2O4S2/c1-13-3-4-14(2)20(11-13)30(27,28)23-15-5-8-17(9-6-15)29(25,26)24-16-7-10-18(21)19(22)12-16/h3-12,23-24H,1-2H3
InChIKeyCLXFRYRYISKDLQ-UHFFFAOYSA-N
XLogP5.21
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.41
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
2-chloro-N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629200
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
N-(3-chloro-4-methylphenyl)-4-(methylamino)benzenesulfonamide
CID 43332040
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2,5-dichloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 989106
N-[4-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 4041023
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
4-chloro-2,5-dimethyl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202783
N-(3,4-dichlorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]acetamide
CID 113001221

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide (CID 22202667) is N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1.
What is the InChIKey of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is CLXFRYRYISKDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O4S2/c1-13-3-4-14(2)20(11-13)30(27,28)23-15-5-8-17(9-6-15)29(25,26)24-16-7-10-18(21)19(22)12-16/h3-12,23-24H,1-2H3.
What are the key properties of N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide?
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 485.41 g/mol, XLogP of 5.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22202667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).