4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide

C15H17NO3S — CID 39824147

IUPAC4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)14-7-8-15(19-3)12(2)10-14/h4-10,16H,1-3H3
InChIKeyOIVBVXXNYQVFEP-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds4

About 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide

4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 39824147) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID39824147
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)14-7-8-15(19-3)12(2)10-14/h4-10,16H,1-3H3
InChIKeyOIVBVXXNYQVFEP-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
4-methoxy-3-methyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 126126840
4-methoxy-3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362146
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-methoxy-3-methyl-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 39824469
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
4-methoxy-N-[6-[(4-methoxy-3-methylphenyl)sulfonylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 71671343
4-methoxy-3-methyl-N-[2-(phenylsulfamoyl)phenyl]benzenesulfonamide
CID 75493365
4-methoxy-3-methyl-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362395
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 39824147) is 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is OIVBVXXNYQVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)14-7-8-15(19-3)12(2)10-14/h4-10,16H,1-3H3.
What are the key properties of 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide?
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 39824147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).