4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide

C16H19NO5S — CID 101056071

IUPAC4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO5S/c1-11-5-7-12(8-6-11)23(18,19)17-13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10,17H,1-4H3
InChIKeyJOFXCSKCFUIKIC-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.82
Rot. Bonds6

About 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide

4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide (PubChem CID 101056071) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
PubChem CID101056071
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
SMILESCOc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19NO5S/c1-11-5-7-12(8-6-11)23(18,19)17-13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10,17H,1-4H3
InChIKeyJOFXCSKCFUIKIC-UHFFFAOYSA-N
XLogP2.82
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
CID 1101866
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
N-[2,5-dimethoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]benzenecarbothioamide
CID 10718059
N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
N-[2-(1-adamantyl)-4,5-dimethoxyphenyl]-4-methylbenzenesulfonamide
CID 169372072
4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 4126284
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
2-methoxy-6-[(4-methylphenyl)sulfonylamino]benzoic acid
CID 122220864
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169373450
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(2,5-dimethoxy-4-methylphenyl)-4-ethenylbenzenesulfonamide
CID 102247944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide (CID 101056071) is 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide is COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide?
The InChIKey is JOFXCSKCFUIKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S/c1-11-5-7-12(8-6-11)23(18,19)17-13-9-15(21-3)16(22-4)10-14(13)20-2/h5-10,17H,1-4H3.
What are the key properties of 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide?
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 101056071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).