4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide

C8H10F2N2O5S2 — CID 43246875

IUPAC4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)C(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H10F2N2O5S2/c1-17-6-4-5(12-19(15,16)8(9)10)2-3-7(6)18(11,13)14/h2-4,8,12H,1H3,(H2,11,13,14)
InChIKeyGWEGXUWTNLAXEG-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.31
Rot. Bonds5

About 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide

4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide (PubChem CID 43246875) has the molecular formula C8H10F2N2O5S2 and a molecular weight of 316.31 g/mol. Its IUPAC name is 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
PubChem CID43246875
Molecular FormulaC8H10F2N2O5S2
Molecular Weight316.31 g/mol
Exact Mass316.00
IUPAC Name4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)C(F)F)ccc1S(N)(=O)=O
InChIInChI=1S/C8H10F2N2O5S2/c1-17-6-4-5(12-19(15,16)8(9)10)2-3-7(6)18(11,13)14/h2-4,8,12H,1H3,(H2,11,13,14)
InChIKeyGWEGXUWTNLAXEG-UHFFFAOYSA-N
XLogP0.31
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-4-sulfamoylphenyl)thiourea
CID 169359137
4-(1-aminopropan-2-yl)-2-methoxybenzenesulfonamide
CID 141353715
4-bromo-2-methoxybenzenesulfonamide
CID 21129172
N-(3-methoxy-4-sulfamoylphenyl)-2,2-dimethylbutanamide
CID 62677873
N-(3-methoxy-4-sulfamoylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949404
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666
3-hydroxy-N-(3-methoxy-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 167828316
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide (CID 43246875) is 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide is COc1cc(NS(=O)(=O)C(F)F)ccc1S(N)(=O)=O.
What is the InChIKey of 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide?
The InChIKey is GWEGXUWTNLAXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O5S2/c1-17-6-4-5(12-19(15,16)8(9)10)2-3-7(6)18(11,13)14/h2-4,8,12H,1H3,(H2,11,13,14).
What are the key properties of 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide?
4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide has a molecular weight of 316.31 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonylamino)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 43246875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).