N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide

C17H22FN3O2S2 — CID 42389425

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C17H22FN3O2S2/c18-15-4-6-16(7-5-15)21-12-10-20(11-13-21)9-2-8-19-25(22,23)17-3-1-14-24-17/h1,3-7,14,19H,2,8-13H2
InChIKeyRTALYCIVQXIXIJ-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.38
Rot. Bonds7

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide (PubChem CID 42389425) has the molecular formula C17H22FN3O2S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
PubChem CID42389425
Molecular FormulaC17H22FN3O2S2
Molecular Weight383.51 g/mol
Exact Mass383.11
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1
InChIInChI=1S/C17H22FN3O2S2/c18-15-4-6-16(7-5-15)21-12-10-20(11-13-21)9-2-8-19-25(22,23)17-3-1-14-24-17/h1,3-7,14,19H,2,8-13H2
InChIKeyRTALYCIVQXIXIJ-UHFFFAOYSA-N
XLogP2.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide
CID 5183080
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 42389503
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-nitrobenzenesulfonamide
CID 42389429
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 55705020
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
CID 112502661
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42389495

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide (CID 42389425) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide is O=S(=O)(NCCCN1CCN(c2ccc(F)cc2)CC1)c1cccs1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide?
The InChIKey is RTALYCIVQXIXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S2/c18-15-4-6-16(7-5-15)21-12-10-20(11-13-21)9-2-8-19-25(22,23)17-3-1-14-24-17/h1,3-7,14,19H,2,8-13H2.
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42389425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).