2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

C15H18N2O6S2 — CID 24662891

IUPAC2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O6S2/c1-22-13-7-8-14(23-2)15(9-13)25(20,21)17-12-5-3-11(4-6-12)10-24(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyQBWSOYUJYJPDQJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP1.29
Rot. Bonds7

About 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (PubChem CID 24662891) has the molecular formula C15H18N2O6S2 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
PubChem CID24662891
Molecular FormulaC15H18N2O6S2
Molecular Weight386.45 g/mol
Exact Mass386.06
IUPAC Name2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O6S2/c1-22-13-7-8-14(23-2)15(9-13)25(20,21)17-12-5-3-11(4-6-12)10-24(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19)
InChIKeyQBWSOYUJYJPDQJ-UHFFFAOYSA-N
XLogP1.29
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-[2-(dimethylamino)ethylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981378
N-[4-[3-(dimethylamino)propylamino]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112981591
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7941112
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (CID 24662891) is 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The InChIKey is QBWSOYUJYJPDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S2/c1-22-13-7-8-14(23-2)15(9-13)25(20,21)17-12-5-3-11(4-6-12)10-24(16,18)19/h3-9,17H,10H2,1-2H3,(H2,16,18,19).
What are the key properties of 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24662891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).