N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

C19H24FN3O2S — CID 112981649

IUPACN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-3-22-10-12-23(13-11-22)18-7-5-17(6-8-18)21-26(24,25)19-9-4-16(20)14-15(19)2/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyLYPTZFVNMYTBFW-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.08
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide

N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 112981649) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID112981649
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1
InChIInChI=1S/C19H24FN3O2S/c1-3-22-10-12-23(13-11-22)18-7-5-17(6-8-18)21-26(24,25)19-9-4-16(20)14-15(19)2/h4-9,14,21H,3,10-13H2,1-2H3
InChIKeyLYPTZFVNMYTBFW-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-fluoro-2-methylbenzenesulfonamide
CID 9336358
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylbenzenesulfonamide
CID 42267593
4-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 2329150
4-fluoro-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 100690280
N-[4-(4-ethylpiperazin-1-yl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823118
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(4-fluorophenyl)sulfamoyl]-4-methylbenzamide
CID 112809859
N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 20963067
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42267769
4-fluoro-2-methyl-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzenesulfonamide
CID 110732621
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methoxy-2-methylbenzenesulfonamide
CID 42389539
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174
2-(4-ethylpiperazin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]benzoic acid
CID 50766120

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide (CID 112981649) is N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LYPTZFVNMYTBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-3-22-10-12-23(13-11-22)18-7-5-17(6-8-18)21-26(24,25)19-9-4-16(20)14-15(19)2/h4-9,14,21H,3,10-13H2,1-2H3.
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 112981649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).