2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide

C15H17NO3S — CID 967885

IUPAC2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)15-10-12(2)7-8-14(15)19-3/h4-10,16H,1-3H3
InChIKeyDNSBTCBITLRNQM-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds4

About 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide

2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 967885) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID967885
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)15-10-12(2)7-8-14(15)19-3/h4-10,16H,1-3H3
InChIKeyDNSBTCBITLRNQM-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

2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
2-methoxy-5-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 110726303
3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzoate
CID 8512318
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
2-methoxy-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 1125112
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
N,N-diethyl-3-[(2-methoxy-5-methylphenyl)sulfonylamino]benzamide
CID 8519190
4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(6-bromo-2-pyridinyl)-2-methoxy-5-methylbenzenesulfonamide
CID 104821473

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 967885) is 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is DNSBTCBITLRNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-5-4-6-13(9-11)16-20(17,18)15-10-12(2)7-8-14(15)19-3/h4-10,16H,1-3H3.
What are the key properties of 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide?
2-methoxy-5-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 2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 967885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).