2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

C15H18N2O5S2 — CID 8777833

IUPAC2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H18N2O5S2/c1-11-3-8-14(22-2)15(9-11)24(20,21)17-10-12-4-6-13(7-5-12)23(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyIKQUOVASDRZNEE-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.13
Rot. Bonds6

About 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide

2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (PubChem CID 8777833) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
PubChem CID8777833
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Name2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H18N2O5S2/c1-11-3-8-14(22-2)15(9-11)24(20,21)17-10-12-4-6-13(7-5-12)23(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyIKQUOVASDRZNEE-UHFFFAOYSA-N
XLogP1.13
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[(4-methoxy-3-methylphenyl)methyl]-5-methylbenzenesulfonamide
CID 110779814
[4-[[(2-methoxy-5-methylphenyl)sulfonylamino]methyl]phenyl]boronic acid
CID 144923697
2-bromo-4,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 55387268
3-bromo-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide
CID 4843656
3-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 53288902
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]-2-methoxybenzenesulfonamide
CID 141351209
1-N,3-N-bis[(3,4-dichlorophenyl)methyl]-4-methoxybenzene-1,3-disulfonamide
CID 141131546
2-methoxy-5-methyl-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzenesulfonamide
CID 110666142
5-bromo-N-[(3,5-dimethylphenyl)methyl]-2-methoxybenzenesulfonamide
CID 25047268

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide (CID 8777833) is 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
The InChIKey is IKQUOVASDRZNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-11-3-8-14(22-2)15(9-11)24(20,21)17-10-12-4-6-13(7-5-12)23(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(4-sulfamoylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 8777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).