N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide

C19H24FNO4S2 — CID 2806010

IUPACN-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCN(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H24FNO4S2/c1-7-21(26(22,23)18-10-8-17(20)9-11-18)27(24,25)19-15(5)13(3)12(2)14(4)16(19)6/h8-11H,7H2,1-6H3
InChIKeyPTFRTIUIUIINTB-UHFFFAOYSA-N
MW413.54 g/mol
LogP3.77
Rot. Bonds5

About N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide

N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide (PubChem CID 2806010) has the molecular formula C19H24FNO4S2 and a molecular weight of 413.54 g/mol. Its IUPAC name is N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide
PubChem CID2806010
Molecular FormulaC19H24FNO4S2
Molecular Weight413.54 g/mol
Exact Mass413.11
IUPAC NameN-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide
SMILESCCN(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C19H24FNO4S2/c1-7-21(26(22,23)18-10-8-17(20)9-11-18)27(24,25)19-15(5)13(3)12(2)14(4)16(19)6/h8-11H,7H2,1-6H3
InChIKeyPTFRTIUIUIINTB-UHFFFAOYSA-N
XLogP3.77
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-fluoro-N-propan-2-ylbenzenesulfonamide
CID 43453699
N-ethyl-4-fluoro-N-propylbenzenesulfonamide
CID 43414951
N-(4-ethoxyphenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502447
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
4-fluoro-N,N-dihexylbenzenesulfonamide
CID 3650162
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 79667940
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28547972
3-[ethyl-(4-fluorophenyl)sulfonylamino]but-2-enoic acid
CID 174875867
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
N-(2-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502093

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide (CID 2806010) is N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide is CCN(S(=O)(=O)c1ccc(F)cc1)S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide?
The InChIKey is PTFRTIUIUIINTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO4S2/c1-7-21(26(22,23)18-10-8-17(20)9-11-18)27(24,25)19-15(5)13(3)12(2)14(4)16(19)6/h8-11H,7H2,1-6H3.
What are the key properties of N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide?
N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide has a molecular weight of 413.54 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-fluorophenyl)sulfonyl-2,3,4,5,6-pentamethylbenzenesulfonamide is sourced from PubChem (CID 2806010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).