4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid

C17H21N3O6S2 — CID 24580673

IUPAC4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H21N3O6S2/c1-4-18-15-10-9-14(28(25,26)20(2)3)11-16(15)19-27(23,24)13-7-5-12(6-8-13)17(21)22/h5-11,18-19H,4H2,1-3H3,(H,21,22)
InChIKeyGUNIFEYTQSDMHV-UHFFFAOYSA-N
MW427.50 g/mol
LogP1.87
Rot. Bonds8

About 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid

4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid (PubChem CID 24580673) has the molecular formula C17H21N3O6S2 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
PubChem CID24580673
Molecular FormulaC17H21N3O6S2
Molecular Weight427.50 g/mol
Exact Mass427.09
IUPAC Name4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C17H21N3O6S2/c1-4-18-15-10-9-14(28(25,26)20(2)3)11-16(15)19-27(23,24)13-7-5-12(6-8-13)17(21)22/h5-11,18-19H,4H2,1-3H3,(H,21,22)
InChIKeyGUNIFEYTQSDMHV-UHFFFAOYSA-N
XLogP1.87
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(ethylamino)-N,N-dimethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzenesulfonamide
CID 24580638
3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 46677366
methyl 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetate
CID 24541409
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]-2-(4-methylphenyl)acetamide
CID 25343989
4-amino-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]butanamide
CID 119266545
4-(difluoromethoxy)-N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]benzamide
CID 25332133
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 9106509
N-(4-bromo-2-fluorophenyl)-2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]acetamide
CID 4884599
N-[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]piperidine-3-carboxamide
CID 119266543
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
3-[[(1S)-2,2-dichlorocyclopropyl]methylamino]-4-(ethylamino)-N,N-dimethylbenzenesulfonamide
CID 25352213
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid (CID 24580673) is 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid is CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid?
The InChIKey is GUNIFEYTQSDMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6S2/c1-4-18-15-10-9-14(28(25,26)20(2)3)11-16(15)19-27(23,24)13-7-5-12(6-8-13)17(21)22/h5-11,18-19H,4H2,1-3H3,(H,21,22).
What are the key properties of 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid?
4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid has a molecular weight of 427.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylsulfamoyl)-2-(ethylamino)phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 24580673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).