5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

C16H18F2N2O5S2 — CID 26267806

IUPAC5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18F2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3
InChIKeyDKRZRNQMMPCFTO-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.41
Rot. Bonds7

About 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide

5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (PubChem CID 26267806) has the molecular formula C16H18F2N2O5S2 and a molecular weight of 420.46 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
PubChem CID26267806
Molecular FormulaC16H18F2N2O5S2
Molecular Weight420.46 g/mol
Exact Mass420.06
IUPAC Name5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C16H18F2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3
InChIKeyDKRZRNQMMPCFTO-UHFFFAOYSA-N
XLogP2.41
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,4-difluorophenyl)sulfonylamino]-2-methoxy-N,N-dimethylbenzenesulfonamide
CID 8519583
5-[(3,4-dichlorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 24502195
5-[(4-cyanophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 8840824
5-[(2-bromophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 26267785
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]thiophene-2-sulfonamide
CID 8824209
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
2-methoxy-5-[(4-methoxyphenyl)sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 7586511
N-[5-[(3,4-diethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656762
4-[(4-ethoxy-3-fluorophenyl)sulfonylamino]benzamide
CID 110758104
5-[[3-(dimethylsulfamoyl)phenyl]methylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 55566308
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-2-(methylamino)acetamide
CID 119693183
4-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]butanamide
CID 119273244

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide (CID 26267806) is 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
The InChIKey is DKRZRNQMMPCFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O5S2/c1-4-25-15-8-5-11(9-16(15)27(23,24)20(2)3)19-26(21,22)12-6-7-13(17)14(18)10-12/h5-10,19H,4H2,1-3H3.
What are the key properties of 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide?
5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide has a molecular weight of 420.46 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfonylamino]-2-ethoxy-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 26267806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).