N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide

C18H21FN2O2S — CID 119044383

IUPACN-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c19-15-7-5-14(6-8-15)13-20-16-9-11-18(12-10-16)24(22,23)21-17-3-1-2-4-17/h5-12,17,20-21H,1-4,13H2
InChIKeyRNZWLDZVQQFGPA-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide

N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide (PubChem CID 119044383) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
PubChem CID119044383
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H21FN2O2S/c19-15-7-5-14(6-8-15)13-20-16-9-11-18(12-10-16)24(22,23)21-17-3-1-2-4-17/h5-12,17,20-21H,1-4,13H2
InChIKeyRNZWLDZVQQFGPA-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(tert-butylsulfonylamino)phenyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939913
3-[4-(cyclohexylsulfamoyl)phenyl]-N-(4-fluorophenyl)propanamide
CID 126248632
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-2-(4-fluorophenyl)acetamide
CID 47058155
4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
4-(cyclopropylsulfamoyl)-N-[(4-fluorophenyl)methyl]benzamide
CID 17496581
N-cycloheptyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715786
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 55846765
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]aniline
CID 43453369
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-fluoro-N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
CID 25023505

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide (CID 119044383) is N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide is O=S(=O)(NC1CCCC1)c1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide?
The InChIKey is RNZWLDZVQQFGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c19-15-7-5-14(6-8-15)13-20-16-9-11-18(12-10-16)24(22,23)21-17-3-1-2-4-17/h5-12,17,20-21H,1-4,13H2.
What are the key properties of N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide?
N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide has a molecular weight of 348.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[(4-fluorophenyl)methylamino]benzenesulfonamide is sourced from PubChem (CID 119044383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).