N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide

C17H21FN2O4S2 — CID 100694437

IUPACN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H21FN2O4S2/c1-4-20(5-2)26(23,24)15-8-6-14(7-9-15)19-25(21,22)16-10-11-17(18)13(3)12-16/h6-12,19H,4-5H2,1-3H3
InChIKeyWSOABZSKQIVTTC-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.97
Rot. Bonds7

About N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide

N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 100694437) has the molecular formula C17H21FN2O4S2 and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID100694437
Molecular FormulaC17H21FN2O4S2
Molecular Weight400.50 g/mol
Exact Mass400.09
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1
InChIInChI=1S/C17H21FN2O4S2/c1-4-20(5-2)26(23,24)15-8-6-14(7-9-15)19-25(21,22)16-10-11-17(18)13(3)12-16/h6-12,19H,4-5H2,1-3H3
InChIKeyWSOABZSKQIVTTC-UHFFFAOYSA-N
XLogP2.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 2696950
N-[4-(diethylsulfamoyl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)-3-methylbenzenesulfonamide
CID 43853583
N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 119121752
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]-3-methylbenzenesulfonamide
CID 112982509
1-N-(4-chloro-2-methylphenyl)-4-N,4-N-diethylbenzene-1,4-disulfonamide
CID 2681540
N-[4-(cyclopentylamino)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 112980658
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
3-cyano-N-[4-(diethylsulfamoyl)phenyl]benzenesulfonamide
CID 4967372
N-(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 110734574
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-nitrobenzenesulfonamide
CID 26967231
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
4-fluoro-3-methyl-N-(6-oxo-1H-pyridin-3-yl)benzenesulfonamide
CID 110724965

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide (CID 100694437) is N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is WSOABZSKQIVTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4S2/c1-4-20(5-2)26(23,24)15-8-6-14(7-9-15)19-25(21,22)16-10-11-17(18)13(3)12-16/h6-12,19H,4-5H2,1-3H3.
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 400.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 100694437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).