N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide

C17H17ClFNO2S — CID 102336822

IUPACN-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide
SMILESC=C(F)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-12-3-9-16(10-4-12)23(21,22)20-17(11-13(2)19)14-5-7-15(18)8-6-14/h3-10,17,20H,2,11H2,1H3
InChIKeyKJTGTCSUYKVZKX-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.54
Rot. Bonds6

About N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide

N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide (PubChem CID 102336822) has the molecular formula C17H17ClFNO2S and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide
PubChem CID102336822
Molecular FormulaC17H17ClFNO2S
Molecular Weight353.85 g/mol
Exact Mass353.07
IUPAC NameN-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide
SMILESC=C(F)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClFNO2S/c1-12-3-9-16(10-4-12)23(21,22)20-17(11-13(2)19)14-5-7-15(18)8-6-14/h3-10,17,20H,2,11H2,1H3
InChIKeyKJTGTCSUYKVZKX-UHFFFAOYSA-N
XLogP4.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Benzyl-4-chlorobenzenesulfonamide
CID 346194
4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
4-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 2165209
N-benzhydryl-4-chlorobenzenesulfonamide
CID 985375
N-benzyl-3-chlorobenzene-1-sulfonamide
CID 2405255
N-[2-(4-chlorophenyl)ethyl]-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 321643
4-chloro-N-[2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2948598
2-chloro-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 16306432
N-(4-chlorobenzyl)-2,4,6-trimethylbenzenesulfonamide
CID 808141
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
4-chloro-N-phenethylbenzenesulfonamide
CID 722861
4-({[(4-Chlorobenzyl)sulfonyl]amino}methyl)benzenesulfonamide
CID 2974096

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide (CID 102336822) is N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide is C=C(F)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide?
The InChIKey is KJTGTCSUYKVZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO2S/c1-12-3-9-16(10-4-12)23(21,22)20-17(11-13(2)19)14-5-7-15(18)8-6-14/h3-10,17,20H,2,11H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide?
N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide has a molecular weight of 353.85 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-fluorobut-3-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 102336822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).