(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

C21H19FN2O3S — CID 1151508

IUPAC(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-20-8-4-3-7-19(20)21(25)23-11-13-24(14-12-23)28(26,27)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2
InChIKeyZCDOTLXOYVMHGM-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.13
Rot. Bonds3

About (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 1151508) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
PubChem CID1151508
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
SMILESO=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-20-8-4-3-7-19(20)21(25)23-11-13-24(14-12-23)28(26,27)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2
InChIKeyZCDOTLXOYVMHGM-UHFFFAOYSA-N
XLogP3.13
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
Cyclohexyl(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)methanone
CID 3868445
(4-(3,5-Bis(trifluoromethyl)phenylsulfonyl)piperazin-1-yl)(phenyl)methanone
CID 13458368
4-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)benzenesulfonamide
CID 91827505
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374
4-[4-(Phenylcarbonyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 146048142
N-Naphthalen-1-ylmethyl-4-sulfamoyl-benzamide
CID 10382616
4-[4-(3-Fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 36275608
4-(4-Benzylpiperidine-1-carbonyl)benzenesulfonamide
CID 155569076
N-[(2-fluorophenyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2122704

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone (CID 1151508) is (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is ZCDOTLXOYVMHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-20-8-4-3-7-19(20)21(25)23-11-13-24(14-12-23)28(26,27)18-10-9-16-5-1-2-6-17(16)15-18/h1-10,15H,11-14H2.
What are the key properties of (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone?
(2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 398.46 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 1151508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).