4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide

C16H19NO4S2 — CID 75512057

IUPAC4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(S(C)=O)c2)cc1C
InChIInChI=1S/C16H19NO4S2/c1-11-9-16(12(2)8-15(11)21-3)23(19,20)17-13-6-5-7-14(10-13)22(4)18/h5-10,17H,1-4H3
InChIKeyHZPDDLGNKZTLMM-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.85
Rot. Bonds5

About 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide

4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide (PubChem CID 75512057) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
PubChem CID75512057
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cccc(S(C)=O)c2)cc1C
InChIInChI=1S/C16H19NO4S2/c1-11-9-16(12(2)8-15(11)21-3)23(19,20)17-13-6-5-7-14(10-13)22(4)18/h5-10,17H,1-4H3
InChIKeyHZPDDLGNKZTLMM-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191
3-methyl-4-[[3-[(S)-methylsulfinyl]phenyl]sulfamoyl]benzoic acid
CID 96540238
4-methoxy-2,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635954
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
N-(1,3-benzoxazol-6-yl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 110728948
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[2-(methanesulfonamido)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113093443
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
4-methoxy-2,5-dimethyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724977
N-(2-fluorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 2236619

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide (CID 75512057) is 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cccc(S(C)=O)c2)cc1C.
What is the InChIKey of 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide?
The InChIKey is HZPDDLGNKZTLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-11-9-16(12(2)8-15(11)21-3)23(19,20)17-13-6-5-7-14(10-13)22(4)18/h5-10,17H,1-4H3.
What are the key properties of 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide?
4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethyl-N-(3-methylsulfinylphenyl)benzenesulfonamide is sourced from PubChem (CID 75512057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).