N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide

C15H15ClFNO2S — CID 60709307

IUPACN-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-14(11-7-9-12(16)10-8-11)18-21(19,20)15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyNFMHXGSPBNMXPJ-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide

N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide (PubChem CID 60709307) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
PubChem CID60709307
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide
SMILESCCC(NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1
InChIInChI=1S/C15H15ClFNO2S/c1-2-14(11-7-9-12(16)10-8-11)18-21(19,20)15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3
InChIKeyNFMHXGSPBNMXPJ-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
4-chloro-N-[1-(4-fluorophenyl)propyl]benzenesulfonamide
CID 66978869
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
CID 22201214
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
N-[1-(4-methylphenyl)propyl]-2-(trifluoromethyl)benzenesulfonamide
CID 43001318
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
N-[4-[(2S)-butan-2-yl]phenyl]-2-fluorobenzenesulfonamide
CID 2697045
4-bromo-N-[1-(4-chlorophenyl)propyl]-2-nitrobenzenesulfonamide
CID 167874755
2-chloro-N-[1-(4-chlorophenyl)propyl]-1,3-thiazole-5-sulfonamide
CID 61052546
N-but-3-yn-2-yl-2-fluorobenzenesulfonamide
CID 114416427

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide (CID 60709307) is N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide is CCC(NS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide?
The InChIKey is NFMHXGSPBNMXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-2-14(11-7-9-12(16)10-8-11)18-21(19,20)15-6-4-3-5-13(15)17/h3-10,14,18H,2H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide?
N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 60709307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).