N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide

C16H18ClNO3S — CID 146076584

IUPACN-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-10-5-6-13(8-14(10)17)18-22(19,20)16-9-15(21-4)11(2)7-12(16)3/h5-9,18H,1-4H3
InChIKeyXLLOFJLFWHJZPZ-UHFFFAOYSA-N
MW339.84 g/mol
LogP4.07
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide

N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide (PubChem CID 146076584) has the molecular formula C16H18ClNO3S and a molecular weight of 339.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
PubChem CID146076584
Molecular FormulaC16H18ClNO3S
Molecular Weight339.84 g/mol
Exact Mass339.07
IUPAC NameN-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)cc1C
InChIInChI=1S/C16H18ClNO3S/c1-10-5-6-13(8-14(10)17)18-22(19,20)16-9-15(21-4)11(2)7-12(16)3/h5-9,18H,1-4H3
InChIKeyXLLOFJLFWHJZPZ-UHFFFAOYSA-N
XLogP4.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.84
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
methyl 3-[(3-chloro-4-methylphenyl)sulfamoyl]-4-methylbenzoate
CID 35506738
4-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7635869
4-chloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7636043
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
N-[4-chloro-3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 43955540
4-methoxy-N-[4-(3-methoxypropylamino)phenyl]-2,5-dimethylbenzenesulfonamide
CID 112981124
4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
CID 75512057
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-(4-chlorophenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 9267447
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide (CID 146076584) is N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c(C)cc1C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
The InChIKey is XLLOFJLFWHJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3S/c1-10-5-6-13(8-14(10)17)18-22(19,20)16-9-15(21-4)11(2)7-12(16)3/h5-9,18H,1-4H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide?
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide has a molecular weight of 339.84 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 146076584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).