N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

C19H23ClFN3O3S — CID 119470414

IUPACN-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C19H22FN3O3S.ClH/c1-13-3-8-17(27(25,26)22-16-6-4-15(20)5-7-16)11-18(13)19(24)23-10-9-21-12-14(23)2;/h3-8,11,14,21-22H,9-10,12H2,1-2H3;1H
InChIKeyCRABKUNPNIYOFO-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.79
Rot. Bonds4

About N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride

N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (PubChem CID 119470414) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
PubChem CID119470414
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC NameN-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCNCC1C.Cl
InChIInChI=1S/C19H22FN3O3S.ClH/c1-13-3-8-17(27(25,26)22-16-6-4-15(20)5-7-16)11-18(13)19(24)23-10-9-21-12-14(23)2;/h3-8,11,14,21-22H,9-10,12H2,1-2H3;1H
InChIKeyCRABKUNPNIYOFO-UHFFFAOYSA-N
XLogP2.79
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
3-(1,4-diazepane-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide;hydrochloride
CID 119414668
3-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 60611163
(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
N-(4-chlorophenyl)-4-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470429
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-piperidin-4-ylbenzamide
CID 119386331
N-(4-fluorophenyl)-4-methyl-3-[3-(trifluoromethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 43017866
(2,5-difluorophenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705670
N-(3-methylphenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 119470409
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472333
N-(3-chlorophenyl)-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride
CID 119472953
3-(4-benzylpiperazine-1-carbonyl)-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 26535449

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride (CID 119470414) is N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N1CCNCC1C.Cl.
What is the InChIKey of N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
The InChIKey is CRABKUNPNIYOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S.ClH/c1-13-3-8-17(27(25,26)22-16-6-4-15(20)5-7-16)11-18(13)19(24)23-10-9-21-12-14(23)2;/h3-8,11,14,21-22H,9-10,12H2,1-2H3;1H.
What are the key properties of N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride?
N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-methyl-3-(2-methylpiperazine-1-carbonyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119470414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).