N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide

C16H20N2O6S2 — CID 7941112

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)14-8-5-12(6-9-14)17-25(19,20)16-11-13(23-3)7-10-15(16)24-4/h5-11,17H,1-4H3
InChIKeyPFTPRIZJZHTCIA-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.75
Rot. Bonds7

About N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide

N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 7941112) has the molecular formula C16H20N2O6S2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID7941112
Molecular FormulaC16H20N2O6S2
Molecular Weight400.48 g/mol
Exact Mass400.08
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)14-8-5-12(6-9-14)17-25(19,20)16-11-13(23-3)7-10-15(16)24-4/h5-11,17H,1-4H3
InChIKeyPFTPRIZJZHTCIA-UHFFFAOYSA-N
XLogP1.75
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-disulfonamide
CID 3106646
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
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-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
N-[4-(cyclopropylamino)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 112980039
2,5-dimethoxy-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24662891
1-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenyl]-3-methylurea
CID 46518710
2,5-dimethoxy-N-[4-(3-methylbutylamino)phenyl]benzenesulfonamide
CID 112985154
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-[4-(dimethylamino)phenyl]-2-methoxy-5-methylsulfonylbenzenesulfonamide
CID 110300283
2,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2208419

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide (CID 7941112) is N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is PFTPRIZJZHTCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6S2/c1-18(2)26(21,22)14-8-5-12(6-9-14)17-25(19,20)16-11-13(23-3)7-10-15(16)24-4/h5-11,17H,1-4H3.
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide?
N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 400.48 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 7941112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).