N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide

C19H25F2N3O4S2 — CID 24580769

IUPACN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O4S2/c1-4-11-22-17-10-8-15(30(27,28)24(5-2)6-3)13-18(17)23-29(25,26)19-12-14(20)7-9-16(19)21/h7-10,12-13,22-23H,4-6,11H2,1-3H3
InChIKeyVNFXBUAXNCZSIR-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.62
Rot. Bonds10

About N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 24580769) has the molecular formula C19H25F2N3O4S2 and a molecular weight of 461.56 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
PubChem CID24580769
Molecular FormulaC19H25F2N3O4S2
Molecular Weight461.56 g/mol
Exact Mass461.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide
SMILESCCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C19H25F2N3O4S2/c1-4-11-22-17-10-8-15(30(27,28)24(5-2)6-3)13-18(17)23-29(25,26)19-12-14(20)7-9-16(19)21/h7-10,12-13,22-23H,4-6,11H2,1-3H3
InChIKeyVNFXBUAXNCZSIR-UHFFFAOYSA-N
XLogP3.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-5-methylthiophene-2-sulfonamide
CID 24580768
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24580765
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119685367
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
N-[4-(diethylamino)phenyl]-2,5-difluorobenzenesulfonamide
CID 9234931
N,N-diethyl-4-(propylamino)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylamino)benzenesulfonamide
CID 86901841
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-6-methylpyridine-3-carboxamide
CID 25332105
N-(2-bromo-5-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 82705054
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide (CID 24580769) is N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide is CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is VNFXBUAXNCZSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O4S2/c1-4-11-22-17-10-8-15(30(27,28)24(5-2)6-3)13-18(17)23-29(25,26)19-12-14(20)7-9-16(19)21/h7-10,12-13,22-23H,4-6,11H2,1-3H3.
What are the key properties of N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide?
N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 461.56 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 24580769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).