5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide

C19H24FN3O2S — CID 2738594

IUPAC5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24FN3O2S/c1-15-3-6-17(20)13-19(15)26(24,25)21-14-16-4-7-18(8-5-16)23-11-9-22(2)10-12-23/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeySZFIAGSZLGNBSW-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.36
Rot. Bonds5

About 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide

5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 2738594) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID2738594
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H24FN3O2S/c1-15-3-6-17(20)13-19(15)26(24,25)21-14-16-4-7-18(8-5-16)23-11-9-22(2)10-12-23/h3-8,13,21H,9-12,14H2,1-2H3
InChIKeySZFIAGSZLGNBSW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (CID 2738594) is 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is SZFIAGSZLGNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-15-3-6-17(20)13-19(15)26(24,25)21-14-16-4-7-18(8-5-16)23-11-9-22(2)10-12-23/h3-8,13,21H,9-12,14H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 2738594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).