N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide

C19H22FN3O3S — CID 120737706

IUPACN-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H22FN3O3S/c1-13-6-7-15(11-17(13)22-27(2,25)26)19(24)23-9-8-21-12-18(23)14-4-3-5-16(20)10-14/h3-7,10-11,18,21-22H,8-9,12H2,1-2H3
InChIKeyYBPLTJYYISEAPO-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.29
Rot. Bonds4

About N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide

N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide (PubChem CID 120737706) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
PubChem CID120737706
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1NS(C)(=O)=O
InChIInChI=1S/C19H22FN3O3S/c1-13-6-7-15(11-17(13)22-27(2,25)26)19(24)23-9-8-21-12-18(23)14-4-3-5-16(20)10-14/h3-7,10-11,18,21-22H,8-9,12H2,1-2H3
InChIKeyYBPLTJYYISEAPO-UHFFFAOYSA-N
XLogP2.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(2-pyridin-3-ylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 120732089
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
N-[2-methyl-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide;hydrochloride
CID 119471526
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 120737093
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 120737744
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The IUPAC name of N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide (CID 120737706) is N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The canonical SMILES for N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide is Cc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
The InChIKey is YBPLTJYYISEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-13-6-7-15(11-17(13)22-27(2,25)26)19(24)23-9-8-21-12-18(23)14-4-3-5-16(20)10-14/h3-7,10-11,18,21-22H,8-9,12H2,1-2H3.
What are the key properties of N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide?
N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 120737706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).