5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

C21H19ClFN3O3S2 — CID 2334555

IUPAC5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19ClFN3O3S2/c22-19-9-10-20(30-19)31(28,29)24-18-4-2-1-3-17(18)21(27)26-13-11-25(12-14-26)16-7-5-15(23)6-8-16/h1-10,24H,11-14H2
InChIKeyUJADCNQMCCCVTM-UHFFFAOYSA-N
MW479.99 g/mol
LogP4.30
Rot. Bonds5

About 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide

5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 2334555) has the molecular formula C21H19ClFN3O3S2 and a molecular weight of 479.99 g/mol. Its IUPAC name is 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID2334555
Molecular FormulaC21H19ClFN3O3S2
Molecular Weight479.99 g/mol
Exact Mass479.05
IUPAC Name5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19ClFN3O3S2/c22-19-9-10-20(30-19)31(28,29)24-18-4-2-1-3-17(18)21(27)26-13-11-25(12-14-26)16-7-5-15(23)6-8-16/h1-10,24H,11-14H2
InChIKeyUJADCNQMCCCVTM-UHFFFAOYSA-N
XLogP4.30
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.99
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide (CID 2334555) is 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is UJADCNQMCCCVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O3S2/c22-19-9-10-20(30-19)31(28,29)24-18-4-2-1-3-17(18)21(27)26-13-11-25(12-14-26)16-7-5-15(23)6-8-16/h1-10,24H,11-14H2.
What are the key properties of 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide?
5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 479.99 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2334555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).