4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C19H24FN3O2S — CID 42267445

IUPAC4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)ccc1F
InChIInChI=1S/C19H24FN3O2S/c1-16-15-18(7-8-19(16)20)26(24,25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,21H,9-14H2,1H3
InChIKeyJNTHYNOCILZFCH-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.23
Rot. Bonds6

About 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42267445) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42267445
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)ccc1F
InChIInChI=1S/C19H24FN3O2S/c1-16-15-18(7-8-19(16)20)26(24,25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,21H,9-14H2,1H3
InChIKeyJNTHYNOCILZFCH-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 42388861
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267400
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
3-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 42267989
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
N-[2-(4-phenylpiperazin-1-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 42428628
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787104
4-ethoxy-3,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389225

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 42267445) is 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCN2CCN(c3ccccc3)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JNTHYNOCILZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-16-15-18(7-8-19(16)20)26(24,25)21-9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15,21H,9-14H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42267445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).