3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide

C26H27FN4O4S — CID 17192294

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27FN4O4S/c27-20-10-12-22(13-11-20)36(34,35)28-15-14-25(32)29-24-9-5-4-8-23(24)26(33)31-18-16-30(17-19-31)21-6-2-1-3-7-21/h1-13,28H,14-19H2,(H,29,32)
InChIKeyHJRUZWJHDDDLJQ-UHFFFAOYSA-N
MW510.59 g/mol
LogP3.10
Rot. Bonds8

About 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide (PubChem CID 17192294) has the molecular formula C26H27FN4O4S and a molecular weight of 510.59 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
PubChem CID17192294
Molecular FormulaC26H27FN4O4S
Molecular Weight510.59 g/mol
Exact Mass510.17
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H27FN4O4S/c27-20-10-12-22(13-11-20)36(34,35)28-15-14-25(32)29-24-9-5-4-8-23(24)26(33)31-18-16-30(17-19-31)21-6-2-1-3-7-21/h1-13,28H,14-19H2,(H,29,32)
InChIKeyHJRUZWJHDDDLJQ-UHFFFAOYSA-N
XLogP3.10
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 17154229
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535
3-[(4-fluorophenyl)sulfonylamino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 18280052
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192162
N-butyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 17192288
N-benzyl-2-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]-N-methylbenzamide
CID 17192300
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide (CID 17192294) is 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
The InChIKey is HJRUZWJHDDDLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O4S/c27-20-10-12-22(13-11-20)36(34,35)28-15-14-25(32)29-24-9-5-4-8-23(24)26(33)31-18-16-30(17-19-31)21-6-2-1-3-7-21/h1-13,28H,14-19H2,(H,29,32).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide has a molecular weight of 510.59 g/mol, XLogP of 3.10, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide is sourced from PubChem (CID 17192294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).