N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide

C23H26FN3O4S — CID 30855365

IUPACN-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C23H26FN3O4S/c24-19-7-3-5-17(15-19)22(28)26-11-13-27(14-12-26)23(29)18-6-4-10-21(16-18)32(30,31)25-20-8-1-2-9-20/h3-7,10,15-16,20,25H,1-2,8-9,11-14H2
InChIKeyDEHUWSNIZNBTGB-UHFFFAOYSA-N
MW459.54 g/mol
LogP2.64
Rot. Bonds5

About N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide

N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 30855365) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID30855365
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC NameN-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESO=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C23H26FN3O4S/c24-19-7-3-5-17(15-19)22(28)26-11-13-27(14-12-26)23(29)18-6-4-10-21(16-18)32(30,31)25-20-8-1-2-9-20/h3-7,10,15-16,20,25H,1-2,8-9,11-14H2
InChIKeyDEHUWSNIZNBTGB-UHFFFAOYSA-N
XLogP2.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
N-cyclopentyl-3-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 55569691
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
4-[3-(cyclopentylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239665
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
N-cyclopentyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119394896

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide (CID 30855365) is N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide is O=C(c1cccc(F)c1)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1.
What is the InChIKey of N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is DEHUWSNIZNBTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c24-19-7-3-5-17(15-19)22(28)26-11-13-27(14-12-26)23(29)18-6-4-10-21(16-18)32(30,31)25-20-8-1-2-9-20/h3-7,10,15-16,20,25H,1-2,8-9,11-14H2.
What are the key properties of N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide?
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 459.54 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 30855365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).